Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMB8MNU)

• Drug Name: CHIR-99021 Drug Info
• Synonyms: CHIR99021; CHIR 99021; CT-99021; CT99021

Indication

Disease Entry	ICD 11	Status	REF
Allergic inflammation	4A80-4A85	Patented	[1]
Graft rejection	NE84	Patented	[1]

• Cross-matching ID:
  PubChem CID: 9956119
  ChEBI ID: CHEMBL91091
  CAS Number: CAS 252917-06-9
  TTD Drug ID: DMB8MNU

Molecule-Related Drug Atlas

Drug(s) Targeting Cyclin-dependent kinase 1 (CDK1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
R-roscovitine	DMSH108	Non-small-cell lung cancer	2C25.Y	Phase 2	[6]
Ro 31-7453	DM83QCL	Solid tumour/cancer	2A00-2F9Z	Phase 2	[7]
P276-00	DM9DJL2	Mantle cell lymphoma	2A85.5	Phase 2	[6]
P-276	DMMJUHD	Breast cancer	2C60-2C65	Phase 2	[8]
RGB-286638	DMEGOQP	Haematological malignancy	2B33.Y	Phase 1	[9]
AG-024322	DMY4WVK	Solid tumour/cancer	2A00-2F9Z	Phase 1	[6]
PHA-793887	DM2Y4FG	Solid tumour/cancer	2A00-2F9Z	Phase 1	[10]
Oxazolyl methylthiothiazole derivative 1	DMZM6FW	N. A.	N. A.	Patented	[11]
PMID25991433-Compound-A1	DM89LF0	N. A.	N. A.	Patented	[12]
KENPAULLONE	DMAGVXW	Discovery agent	N.A.	Patented	[13]

Drug(s) Targeting Extracellular signal-regulated kinase 2 (ERK2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
BVD-523	DMNB4XK	Melanoma	2C30	Phase 2	[14]
HH2710	DM0C5MV	Solid tumour/cancer	2A00-2F9Z	Phase 1/2	[15]
ASTX029	DMVZXIA	Solid tumour/cancer	2A00-2F9Z	Phase 1/2	[16]
VAN-10-4-eluting stent	DM3ZW6A	Artery stenosis	BD52	Phase 1	[17]
GDC-0994	DMFC2OY	Solid tumour/cancer	2A00-2F9Z	Phase 1	[18]
JSI-1187	DMVJWBS	Solid tumour/cancer	2A00-2F9Z	Phase 1	[19]
LY3214996	DMFDAY7	Solid tumour/cancer	2A00-2F9Z	Phase 1	[20]
COR-D	DMLXMCB	T-cell leukaemia	2A90	Preclinical	[21]
SB220025	DMSBUET	Arthritis	FA20	Terminated	[22]
RO-316233	DMAGLPW	Discovery agent	N.A.	Investigative	[23]

Drug(s) Targeting Glycogen synthase kinase-3 beta (GSK-3B)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
AMO-02	DMJRU3A	Myotonic dystrophy	8C71.0	Phase 2/3	[24]
LY2090314	DMTBFE4	Acute myeloid leukaemia	2A60	Phase 2	[1]
Lithium	DMZ3OU6	Bipolar disorder	6A60	Phase 2	[25]
Tideglusib	DME4LA1	Alzheimer disease	8A20	Phase 2	[26]
9-ING-41	DM57TY3	Myelofibrosis	2A20.2	Phase 2	[27]
Neu-120	DMXKOUC	Parkinson disease	8A00.0	Phase 1/2	[28]
KENPAULLONE	DMAGVXW	Discovery agent	N.A.	Patented	[29]
TDZD-8	DMG6Q45	Malignant glioma	2A00.0	Patented	[30]
AR-A014418	DMUPN01	Ovarian cancer	2C73	Patented	[31]
PMID26161698-Compound-18	DM6JVR5	N. A.	N. A.	Patented	[11]

Drug(s) Targeting Glycogen synthase kinase-3 alpha (GSK-3A)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[32]
LY2090314	DMTBFE4	Acute myeloid leukaemia	2A60	Phase 2	[1]
Lithium	DMZ3OU6	Bipolar disorder	6A60	Phase 2	[25]
KENPAULLONE	DMAGVXW	Discovery agent	N.A.	Patented	[1]
TDZD-8	DMG6Q45	Malignant glioma	2A00.0	Patented	[1]
AR-A014418	DMUPN01	Ovarian cancer	2C73	Patented	[1]
PMID27828716-Compound-21	DMO1NAR	N. A.	N. A.	Patented	[1]
Thiadiazolidindione derivative 2	DM5AUL0	N. A.	N. A.	Patented	[1]
PMID27828716-Compound-18	DMNR6KL	N. A.	N. A.	Patented	[1]
PMID27828716-Compound-BIO-acetoxime	DMUM5L6	Malignant glioma	2A00.0	Patented	[1]

Drug(s) Affected By Leucine-rich repeat-containing G-protein coupled receptor 5 (LGR5)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[33]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[34]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[35]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[36]
Leflunomide	DMR8ONJ	Arthritis	FA20	Approved	[37]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[38]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[39]
Menadione	DMSJDTY	Vitamin K deficiency	5B59	Approved	[33]
Arsenic	DMTL2Y1	N. A.	N. A.	Approved	[40]
Fluorouracil	DMUM7HZ	Adenocarcinoma	2D40	Approved	[41]

Drug(s) Affected By Catenin beta-1 (CTNNB1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[42]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[43]
Sulindac	DM2QHZU	Acute myelogenous leukaemia	2A41	Approved	[44]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[45]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[46]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[47]
Aspirin	DM672AH	Acute coronary syndrome	BA41	Approved	[48]
Hydroquinone	DM6AVR4	Melasma	ED60.1	Approved	[49]
Testosterone	DM7HUNW	Hot flushes	GA30	Approved	[50]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[51]

Drug(s) Affected By Mesogenin-1 (MSGN1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[52]
Benzo(a)pyrene	DMN7J43	N. A.	N. A.	Phase 1	[53]

Drug(s) Affected By T-box transcription factor TBX6 (TBX6)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[52]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[52]
Dolutegravir	DMCZGRE	Human immunodeficiency virus infection	1C62	Approved	[54]
Folic Acid	DMEMBJC	Colorectal carcinoma		Approved	[52]
Niclosamide	DMJAGXQ	Cestodes infection	1F70-1F76	Approved	[55]
Dexamethasone	DMMWZET	Acute adrenal insufficiency		Approved	[52]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[56]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[57]
Benzo(a)pyrene	DMN7J43	N. A.	N. A.	Phase 1	[53]
Milchsaure	DM462BT	Pruritus	EC90	Investigative	[58]

Drug(s) Affected By Myc proto-oncogene protein (MYC)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[59]
Sertraline	DM0FB1J	Coronary heart disease	BA80.Z	Approved	[60]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[61]
Gefitinib	DM15F0X	Colon adenocarcinoma		Approved	[62]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[63]
Selenium	DM25CGV	N. A.	N. A.	Approved	[64]
Ribavirin	DMEYLH9	Hepatitis C virus infection	1E51.1	Approved	[65]
Trametinib	DM2JGQ3	Melanoma	2C30	Approved	[66]
Sulindac	DM2QHZU	Acute myelogenous leukaemia	2A41	Approved	[67]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[34]

Drug(s) Affected By Homeobox protein Hox-B7 (HOXB7)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[68]
Polyethylene glycol	DM4I1JP	Constipation	DD91.1	Approved	[3]
Thalidomide	DM70BU5	Adult T-cell leukemia/lymphoma		Approved	[3]
Nilotinib	DM7HXWT	Chronic myelogenous leukaemia	2A20.0	Approved	[3]
Ramelteon	DM7IW9J	Insomnia	7A00-7A0Z	Approved	[3]
Testosterone enanthate	DMB6871	N. A.	N. A.	Approved	[69]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[39]
Temozolomide	DMKECZD	Adenocarcinoma	2D40	Approved	[70]
Abacavir	DMMN36E	Human immunodeficiency virus infection	1C62	Approved	[3]
Phenytoin	DMNOKBV	Epilepsy	8A60-8A68	Approved	[3]

Drug(s) Affected By Paired box protein Pax-6 (PAX6)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[68]
Isotretinoin	DM4QTBN	Acne vulgaris	ED80	Approved	[3]
Panobinostat	DM58WKG	Chronic graft versus host disease		Approved	[71]
Thalidomide	DM70BU5	Adult T-cell leukemia/lymphoma		Approved	[3]
Marinol	DM70IK5	Anorexia nervosa cachexia	6B80	Approved	[72]
Nilotinib	DM7HXWT	Chronic myelogenous leukaemia	2A20.0	Approved	[3]
Ramelteon	DM7IW9J	Insomnia	7A00-7A0Z	Approved	[3]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[73]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[74]
Dabigatran	DMDI6R4	Stroke	8B20	Approved	[3]

Drug(s) Affected By Homeobox protein CDX-1 (CDX1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[75]
Marinol	DM70IK5	Anorexia nervosa cachexia	6B80	Approved	[76]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[77]
Folic Acid	DMEMBJC	Colorectal carcinoma		Approved	[52]
Decitabine	DMQL8XJ	Acute myelogenous leukaemia	2A41	Approved	[78]
Triclosan	DMZUR4N	Malaria	1F40-1F45	Approved	[79]
Resveratrol	DM3RWXL	Giant cell arteritis	4A44.2	Phase 3	[80]
(+)-JQ1	DM1CZSJ	Testicular cancer	2C80	Phase 1	[81]
Benzo(a)pyrene	DMN7J43	N. A.	N. A.	Phase 1	[53]
bisphenol A	DM2ZLD7	Discovery agent	N.A.	Investigative	[82]

Drug(s) Affected By Hepatocyte nuclear factor 3-alpha (FOXA1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Beta-carotene	DM0RXBT	Vitamin deficiency	5B55-5B71	Approved	[83]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[84]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[85]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[35]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[86]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[83]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[87]
Marinol	DM70IK5	Anorexia nervosa cachexia	6B80	Approved	[76]
Leflunomide	DMR8ONJ	Arthritis	FA20	Approved	[37]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[73]

Drug(s) Affected By 55 kDa erythrocyte membrane protein (MPP1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[88]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[89]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[38]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[90]
Temozolomide	DMKECZD	Adenocarcinoma	2D40	Approved	[70]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[91]
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[92]
Benzo(a)pyrene	DMN7J43	N. A.	N. A.	Phase 1	[53]
PMID28460551-Compound-2	DM4DOUB	N. A.	N. A.	Patented	[93]
bisphenol A	DM2ZLD7	Discovery agent	N.A.	Investigative	[82]

Drug(s) Affected By POU domain, class 5, transcription factor 1 (POU5F1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[85]
Ciprofloxacin XR	DM2NLS9	Acute gonococcal cervicitis		Approved	[94]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[95]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[96]
Panobinostat	DM58WKG	Chronic graft versus host disease		Approved	[71]
Chlorpromazine	DMBGZI3	Acute intermittent hepatic porphyria	5C58.11	Approved	[97]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[98]
Testosterone	DM7HUNW	Hot flushes	GA30	Approved	[99]
Lamotrigine	DM8SXYG	Bipolar disorder	6A60	Approved	[100]
Ibuprofen	DM8VCBE	Dysmenorrhea	GA34.3	Approved	[101]

Drug(s) Affected By Indian hedgehog protein (IHH)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[82]
Dexamethasone	DMMWZET	Acute adrenal insufficiency		Approved	[102]
Fluorouracil	DMUM7HZ	Adenocarcinoma	2D40	Approved	[103]
Urethane	DM7NSI0	N. A.	N. A.	Phase 4	[104]
Resveratrol	DM3RWXL	Giant cell arteritis	4A44.2	Phase 3	[103]
Benzo(a)pyrene	DMN7J43	N. A.	N. A.	Phase 1	[53]
PMID28870136-Compound-48	DMPIM9L	N. A.	N. A.	Patented	[105]
Deguelin	DMXT7WG	Esophageal squamous cell carcinoma	2E60.1	Investigative	[106]

Drug(s) Affected By Rapamycin-insensitive companion of mTOR (RICTOR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[33]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[107]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[68]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[38]
Clorgyline	DMCEUJD	Parkinson disease	8A00.0	Approved	[108]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[77]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[109]
Menadione	DMSJDTY	Vitamin K deficiency	5B59	Approved	[33]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[110]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[111]

Drug(s) Affected By Transcription factor GATA-6 (GATA6)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Beta-carotene	DM0RXBT	Vitamin deficiency	5B55-5B71	Approved	[83]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[35]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[83]
Testosterone	DM7HUNW	Hot flushes	GA30	Approved	[112]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[35]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[90]
Vitamin A	DMJ2AH4	Night blindness	9D45	Approved	[83]
Alitretinoin	DMME8LH	Kaposi sarcoma	2B57	Approved	[83]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[113]
Indomethacin	DMSC4A7	Bursitis		Approved	[114]

Drug(s) Affected By Transcription factor HES-7 (HES7)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[52]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[113]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[115]
Benzo(a)pyrene	DMN7J43	N. A.	N. A.	Phase 1	[53]
bisphenol A	DM2ZLD7	Discovery agent	N.A.	Investigative	[116]

Drug(s) Affected By Transcription factor SOX-17 (SOX17)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Gefitinib	DM15F0X	Colon adenocarcinoma		Approved	[117]
Dactinomycin	DM2YGNW	Adult kidney Wilms tumor		Approved	[117]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[117]
Isotretinoin	DM4QTBN	Acne vulgaris	ED80	Approved	[117]
Thalidomide	DM70BU5	Adult T-cell leukemia/lymphoma		Approved	[117]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[117]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[100]
Zoledronate	DMIXC7G	Adenocarcinoma	2D40	Approved	[118]
Dasatinib	DMJV2EK	Blast phase chronic myelogenous leukemia, BCR-ABL1 positive		Approved	[117]
Ziprasidone	DMM58JY	Bipolar disorder	6A60	Approved	[117]

Drug(s) Affected By Homeobox protein NANOG (NANOG)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[119]
Ciprofloxacin XR	DM2NLS9	Acute gonococcal cervicitis		Approved	[94]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[95]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[96]
Panobinostat	DM58WKG	Chronic graft versus host disease		Approved	[71]
Chlorpromazine	DMBGZI3	Acute intermittent hepatic porphyria	5C58.11	Approved	[97]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[98]
Testosterone	DM7HUNW	Hot flushes	GA30	Approved	[99]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[39]
Ivermectin	DMDBX5F	Intestinal strongyloidiasis due to nematode parasite	1F6B	Approved	[120]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cyclin-dependent kinase 1 (CDK1)	TTH6V3D	CDK1_HUMAN	Inhibitor	[2]
Extracellular signal-regulated kinase 2 (ERK2)	TT4TQBX	MK01_HUMAN	Inhibitor	[2]
Glycogen synthase kinase-3 alpha (GSK-3A)	TTRZQE3	GSK3A_HUMAN	Inhibitor	[1]
Glycogen synthase kinase-3 beta (GSK-3B)	TTRSMW9	GSK3B_HUMAN	Inhibitor	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
55 kDa erythrocyte membrane protein (MPP1)	OTA2ENZQ	EM55_HUMAN	Gene/Protein Processing	[3]
Catenin beta-1 (CTNNB1)	OTZ932A3	CTNB1_HUMAN	Gene/Protein Processing	[4]
Hepatocyte nuclear factor 3-alpha (FOXA1)	OTEBY0TD	FOXA1_HUMAN	Gene/Protein Processing	[3]
Homeobox protein CDX-1 (CDX1)	OTOHTMJE	CDX1_HUMAN	Gene/Protein Processing	[3]
Homeobox protein Hox-B7 (HOXB7)	OTC7WYU8	HXB7_HUMAN	Gene/Protein Processing	[3]
Homeobox protein NANOG (NANOG)	OTUEY1FM	NANOG_HUMAN	Gene/Protein Processing	[3]
Indian hedgehog protein (IHH)	OT1DWGXC	IHH_HUMAN	Gene/Protein Processing	[3]
Leucine-rich repeat-containing G-protein coupled receptor 5 (LGR5)	OTMVHF9E	LGR5_HUMAN	Gene/Protein Processing	[4]
Mesogenin-1 (MSGN1)	OTZGNRKZ	MSGN1_HUMAN	Gene/Protein Processing	[3]
Myc proto-oncogene protein (MYC)	OTPV5LUK	MYC_HUMAN	Gene/Protein Processing	[5]

References

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