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

General Information of Drug (ID: DMAGVXW)

• Drug Name: KENPAULLONE Drug Info
• Synonyms: kenpaullone; 142273-20-9; 9-Bromopaullone; NSC 664704; 9-Bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one; NSC-664704; NSC664704; MLS002702152; CHEMBL296586; 9-Bromo-7,12-dihydroindolo(3,2-d)(1)benzazepin-6(5H)-one; Indolo[3,2-d][1]benzazepin-6(5H)-one,9-bromo-7,12-dihydro-; QQUXFYAWXPMDOE-UHFFFAOYSA-N; 9-Bromo-7,12-dihydro-indolo[3,2-d][1]benzazepin-6(5H)-one; 9-bromo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one; 9-Bromo-7,12-dihydro-indolo-[3,2-d]-[1]benzazepin-6(5H)-one

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Cross-matching ID:
  PubChem CID: 3820
  ChEBI ID: CHEBI:92658
  CAS Number: CAS 142273-20-9
  TTD Drug ID: DMAGVXW

Molecule-Related Drug Atlas

Drug(s) Targeting Plasmodium CDK Pfmrk (Malaria Pfmrk)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
APIGENIN	DMI3491	Discovery agent	N.A.	Investigative	[5]
2,5-dichloro-N-p-tolylthiophene-3-sulfonamide	DMU5J8Y	Discovery agent	N.A.	Investigative	[10]
WR-289010	DMS2QUL	Discovery agent	N.A.	Investigative	[11]
WR-080539	DMUCGK8	Discovery agent	N.A.	Investigative	[11]
5-chloro-4-nitrothiophene-2-sulfonamide	DMRS82Q	Discovery agent	N.A.	Investigative	[10]
Oxindole derivative	DM1AU8V	Malaria	1F40-1F45	Investigative	[12]
WR-203581	DM9M1UO	Discovery agent	N.A.	Investigative	[11]
WR-289009	DM5W9GR	Discovery agent	N.A.	Investigative	[11]
N-(2-aminoethyl)isoquinoline-5-sulfonamide	DMG2MSX	Discovery agent	N.A.	Investigative	[13]
2-chloro-N-(o-tolylcarbamoyl)benzamide	DMLDQ6I	Discovery agent	N.A.	Investigative	[10]

Drug(s) Targeting Cyclin-dependent kinase 5 (CDK5)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Roscovitine derivative 1	DMD1G3Z	N. A.	N. A.	Patented	[14]
Tricyclic benzimidazole derivative 1	DM5SD9E	N. A.	N. A.	Patented	[14]
4-(thiazol-5-yl)-pyrimidine derivative 2	DMMQFCN	N. A.	N. A.	Patented	[14]
Pyrazolo[1,5-a]-1,3,5-triazine derivative 1	DMOK7CW	N. A.	N. A.	Patented	[14]
Naphthyridine and isoquinoline derivative 1	DMTGIP7	N. A.	N. A.	Patented	[14]
PMID26161698-Compound-18	DM6JVR5	N. A.	N. A.	Patented	[14]
Flavonoid derivative 7	DM6A9UR	N. A.	N. A.	Patented	[14]
L-751250	DMOERXK	Obesity	5B81	Preclinical	[15]
Olomoucine	DMNAFG1	N. A.	N. A.	Terminated	[15]
aloisine A	DM5U1LN	Discovery agent	N.A.	Investigative	[16]

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	[17]
Ro 31-7453	DM83QCL	Solid tumour/cancer	2A00-2F9Z	Phase 2	[18]
P276-00	DM9DJL2	Mantle cell lymphoma	2A85.5	Phase 2	[17]
P-276	DMMJUHD	Breast cancer	2C60-2C65	Phase 2	[19]
RGB-286638	DMEGOQP	Haematological malignancy	2B33.Y	Phase 1	[20]
AG-024322	DMY4WVK	Solid tumour/cancer	2A00-2F9Z	Phase 1	[17]
PHA-793887	DM2Y4FG	Solid tumour/cancer	2A00-2F9Z	Phase 1	[21]
Oxazolyl methylthiothiazole derivative 1	DMZM6FW	N. A.	N. A.	Patented	[14]
PMID25991433-Compound-A1	DM89LF0	N. A.	N. A.	Patented	[22]
Roscovitine derivative 1	DMD1G3Z	N. A.	N. A.	Patented	[14]

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	[23]
LY2090314	DMTBFE4	Acute myeloid leukaemia	2A60	Phase 2	[4]
Lithium	DMZ3OU6	Bipolar disorder	6A60	Phase 2	[24]
Tideglusib	DME4LA1	Alzheimer disease	8A20	Phase 2	[25]
9-ING-41	DM57TY3	Myelofibrosis	2A20.2	Phase 2	[26]
Neu-120	DMXKOUC	Parkinson disease	8A00.0	Phase 1/2	[27]
CHIR-99021	DMB8MNU	Allergic inflammation	4A80-4A85	Patented	[28]
TDZD-8	DMG6Q45	Malignant glioma	2A00.0	Patented	[29]
AR-A014418	DMUPN01	Ovarian cancer	2C73	Patented	[30]
PMID26161698-Compound-18	DM6JVR5	N. A.	N. A.	Patented	[14]

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	[31]
LY2090314	DMTBFE4	Acute myeloid leukaemia	2A60	Phase 2	[4]
Lithium	DMZ3OU6	Bipolar disorder	6A60	Phase 2	[24]
CHIR-99021	DMB8MNU	Allergic inflammation	4A80-4A85	Patented	[4]
TDZD-8	DMG6Q45	Malignant glioma	2A00.0	Patented	[4]
AR-A014418	DMUPN01	Ovarian cancer	2C73	Patented	[4]
PMID27828716-Compound-21	DMO1NAR	N. A.	N. A.	Patented	[4]
Thiadiazolidindione derivative 2	DM5AUL0	N. A.	N. A.	Patented	[4]
PMID27828716-Compound-18	DMNR6KL	N. A.	N. A.	Patented	[4]
PMID27828716-Compound-BIO-acetoxime	DMUM5L6	Malignant glioma	2A00.0	Patented	[4]

Drug(s) Targeting G2/mitotic-specific cyclin B1 (CCNB1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
RO-316233	DMAGLPW	Discovery agent	N.A.	Investigative	[32]
Bisindolylmaleimide-I	DMOQJZC	Discovery agent	N.A.	Investigative	[32]
3,4-di-(4-methoxyphenyl)-1H-pyrrole-2,5-dione	DMDO175	Discovery agent	N.A.	Investigative	[33]
3,4-diphenyl-1H-pyrrole-2,5-dione	DMPK6YT	Discovery agent	N.A.	Investigative	[33]
3-(4-methoxyphenyl)-4-phenyl-1H-pyrrole-2,5-dione	DMGC7RY	Discovery agent	N.A.	Investigative	[33]
3-(indole-3-yl)-4-phenyl-1H-pyrrole-2,5-dione	DM3EV9N	Discovery agent	N.A.	Investigative	[33]
AZAKENPAULLONE	DM61H07	Discovery agent	N.A.	Investigative	[3]
Thieno analogue of kenpaullone	DMIOTHG	Discovery agent	N.A.	Investigative	[3]
3,4-bis(indol-3-yl)maleimide derivative	DMEQ1HC	Discovery agent	N.A.	Investigative	[32]
4-(Quinolin-4-yl)-N-p-tolylpyrimidin-2-amine	DMDW3SX	Discovery agent	N.A.	Investigative	[34]

Drug(s) Affected By Transferrin receptor protein 1 (TFRC)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[35]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[36]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[37]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[38]
Rofecoxib	DM3P5DA	Osteoarthritis	FA00-FA05	Approved	[39]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[40]
Isotretinoin	DM4QTBN	Acne vulgaris	ED80	Approved	[41]
Acetic Acid, Glacial	DM4SJ5Y	infection in the ear canal	AA0Y	Approved	[42]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[43]
Hydroquinone	DM6AVR4	Melasma	ED60.1	Approved	[44]

Drug(s) Affected By Tyrosine-protein kinase Lck (LCK)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[45]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[46]
Crizotinib	DM4F29C	Non-small-cell lung cancer	2C25.Y	Approved	[47]
Isotretinoin	DM4QTBN	Acne vulgaris	ED80	Approved	[41]
Aspirin	DM672AH	Acute coronary syndrome	BA41	Approved	[48]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[49]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[50]
Enzalutamide	DMGL19D	Prostate cancer	2C82.0	Approved	[51]
Sorafenib	DMS8IFC	Adenocarcinoma	2D40	Approved	[52]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[53]

Drug(s) Affected By Prostate-specific antigen (KLK3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[54]
Levonorgestrel	DM1DP7T	Atypical endometrial hyperplasia		Approved	[55]
Selenium	DM25CGV	N. A.	N. A.	Approved	[56]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[57]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[58]
Prasterone	DM67VKL	Chronic obstructive pulmonary disease	CA22	Approved	[59]
Nevirapine	DM6HX9B	Human immunodeficiency virus infection	1C62	Approved	[60]
Thalidomide	DM70BU5	Adult T-cell leukemia/lymphoma		Approved	[61]
Testosterone	DM7HUNW	Hot flushes	GA30	Approved	[62]
Calcitriol	DM8ZVJ7	Congenital alopecia	LC30	Approved	[63]

Drug(s) Affected By ATP-dependent translocase ABCB1 (ABCB1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Flupentixol	DM0DJ9O	Schizophrenia	6A20	Approved	[64]
Sertraline	DM0FB1J	Coronary heart disease	BA80.Z	Approved	[65]
Crizotinib	DM4F29C	Non-small-cell lung cancer	2C25.Y	Approved	[66]
Lamotrigine	DM8SXYG	Bipolar disorder	6A60	Approved	[67]
Cepharanthine	DM9Y5JB	N. A.	N. A.	Approved	[68]
Itraconazole	DMCR1MV	Aspergillosis	1F20	Approved	[69]
Clozapine	DMFC71L	Schizophrenia	6A20	Approved	[70]
Midostaurin	DMI6E0R	Acute myeloid leukaemia	2A60	Approved	[71]
Trifluoperazine	DMKBYWI	Anxiety		Approved	[72]
Olanzapine	DMPFN6Y	Bipolar depression		Approved	[70]

Drug(s) Affected By Furin (FURIN)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[73]
Glucosamine	DM4ZLFD	Osteoarthritis	FA00-FA05	Approved	[74]
Aspirin	DM672AH	Acute coronary syndrome	BA41	Approved	[48]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[75]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[50]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[76]
Arsenic	DMTL2Y1	N. A.	N. A.	Approved	[77]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[78]
Paclitaxel	DMLB81S	Breast carcinoma		Approved	[79]
Benzo(a)pyrene	DMN7J43	N. A.	N. A.	Phase 1	[80]

Drug(s) Affected By Androgen receptor (AR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Prasterone	DM67VKL	Chronic obstructive pulmonary disease	CA22	Approved	[81]
Nilutamide	DMFN07X	Prostate cancer	2C82.0	Approved	[81]
Hydroxyflutamide	DMGIZF5	Prostate cancer	2C82.0	Approved	[81]
Enzalutamide	DMGL19D	Prostate cancer	2C82.0	Approved	[82]
Bicalutamide	DMZMSPF	Prostate cancer	2C82.0	Approved	[83]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[84]
Drospirenone	DM1A9W3	Acne vulgaris	ED80	Approved	[85]
Nitrendipine	DM21C09	Hypertension	BA00-BA04	Approved	[86]
Selenium	DM25CGV	N. A.	N. A.	Approved	[56]
Spironolactone	DM2AQ5N	Chronic heart failure	BD1Z	Approved	[87]

Drug(s) Affected By Cyclin-dependent kinase 2 (CDK2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[88]
Mechlorethamine	DM0CVXA	Chronic myelogenous leukaemia	2A20.0	Approved	[89]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[90]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[91]
Selenium	DM25CGV	N. A.	N. A.	Approved	[92]
Ciprofloxacin XR	DM2NLS9	Acute gonococcal cervicitis		Approved	[93]
Sulindac	DM2QHZU	Acute myelogenous leukaemia	2A41	Approved	[94]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[95]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[96]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[97]

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	[98]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[99]
Sulindac	DM2QHZU	Acute myelogenous leukaemia	2A41	Approved	[100]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[101]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[102]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[103]
Aspirin	DM672AH	Acute coronary syndrome	BA41	Approved	[104]
Hydroquinone	DM6AVR4	Melasma	ED60.1	Approved	[105]
Testosterone	DM7HUNW	Hot flushes	GA30	Approved	[106]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[107]

Drug(s) Affected By Hepcidin (HAMP)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[108]
Methimazole	DM25FL8	Hyperthyroidism	5A02	Approved	[109]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[110]
Omeprazole	DM471KJ	Cystic fibrosis	CA25	Approved	[111]
Leflunomide	DMR8ONJ	Arthritis	FA20	Approved	[112]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[75]
Cantharidin	DMBP5N3	Molluscum contagiosum infection	1E76	Approved	[8]
Papaverine	DMCA9QP	Brain ischaemia	8B1Z	Approved	[8]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[50]
Ethanol	DMDRQZU	Chronic pain	MG30	Approved	[113]

Drug(s) Affected By Bone morphogenetic protein receptor type-2 (BMPR2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[114]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[115]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[116]
Testosterone	DM7HUNW	Hot flushes	GA30	Approved	[117]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[118]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[119]
Zoledronate	DMIXC7G	Adenocarcinoma	2D40	Approved	[120]
Arsenic	DMTL2Y1	N. A.	N. A.	Approved	[121]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[78]
Vorinostat	DMWMPD4	Adult acute monocytic leukemia		Approved	[122]

Drug(s) Affected By Transferrin receptor protein 2 (TFR2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Quercetin	DM3NC4M	Obesity	5B81	Approved	[110]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[118]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[50]
Arsenic	DMTL2Y1	N. A.	N. A.	Approved	[123]
PEITC	DMOMN31	Prostate cancer	2C82.0	Phase 2	[124]
(+)-JQ1	DM1CZSJ	Testicular cancer	2C80	Phase 1	[125]
Benzo(a)pyrene	DMN7J43	N. A.	N. A.	Phase 1	[126]
Dorsomorphin	DMKYXJW	Discovery agent	N.A.	Investigative	[8]
SU9516	DMQHG0R	Discovery agent	N.A.	Investigative	[8]

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]
Cyclin-dependent kinase 5 (CDK5)	TTL4Q97	CDK5_HUMAN	Inhibitor	[3]
G2/mitotic-specific cyclin B1 (CCNB1)	TT9P6OW	CCNB1_HUMAN	Inhibitor	[2]
Glycogen synthase kinase-3 alpha (GSK-3A)	TTRZQE3	GSK3A_HUMAN	Inhibitor	[4]
Glycogen synthase kinase-3 beta (GSK-3B)	TTRSMW9	GSK3B_HUMAN	Inhibitor	[3]
Plasmodium CDK Pfmrk (Malaria Pfmrk)	TTSFWA7	P90584_PLAFA	Inhibitor	[5]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Androgen receptor (AR)	OTUBKAZZ	ANDR_HUMAN	Gene/Protein Processing	[6]
ATP-dependent translocase ABCB1 (ABCB1)	OTEJROBO	MDR1_HUMAN	Gene/Protein Processing	[7]
Bone morphogenetic protein receptor type-2 (BMPR2)	OTM9W547	BMPR2_HUMAN	Gene/Protein Processing	[8]
Catenin beta-1 (CTNNB1)	OTZ932A3	CTNB1_HUMAN	Protein Interaction/Cellular Processes	[6]
Cyclin-dependent kinase 2 (CDK2)	OTB5DYYZ	CDK2_HUMAN	Gene/Protein Processing	[9]
Furin (FURIN)	OTM2665Z	FURIN_HUMAN	Gene/Protein Processing	[8]
Hepcidin (HAMP)	OT607RBL	HEPC_HUMAN	Gene/Protein Processing	[8]
Prostate-specific antigen (KLK3)	OTFGSBFJ	KLK3_HUMAN	Gene/Protein Processing	[6]
Transferrin receptor protein 1 (TFRC)	OT8ZPBDL	TFR1_HUMAN	Gene/Protein Processing	[8]
Transferrin receptor protein 2 (TFR2)	OTMYCCEO	TFR2_HUMAN	Gene/Protein Processing	[8]

References

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