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

General Information of Drug (ID: DM08VHZ)

• Drug Name: Indirubin-5-sulfonate Drug Info
• Synonyms: indirubin-5-sulphonate; CHEMBL1207227; 2',3-DIOXO-1,1',2',3-TETRAHYDRO-2,3'-BIINDOLE-5'-SULFONIC ACID; INR; AC1NRBUE; AC1NZHHM; 1v0o; AC1O8NUW; Indirubin derivative, 20; SCHEMBL490806; BDBM84534; A05-A11B1-I; NSC717821; BDBM50023871; NSC-717821; DB02519; NCI60_040625; 2-oxo-3-(3-oxo-1H-indol-2-ylidene)-1H-indole-5-sulfonic acid; (3Z)-2-oxo-3-(3-oxoindolin-2-ylidene)indoline-5-sulfonic acid; (3E)-2-oxo-3-(3-oxo-1H-indol-2-ylidene)-1H-indole-5-sulfonic acid; (2Z)-2',3-dioxo-1,1',2',3-tetrahydro-2,3'-biindole-5'-sulfonic acid; Indirubin-5-Sulphonate

Indication

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

• Cross-matching ID:
  PubChem CID: 3708
  CAS Number: CAS 244021-67-8
  TTD Drug ID: DM08VHZ

Molecule-Related Drug Atlas

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

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

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	[5]
Ro 31-7453	DM83QCL	Solid tumour/cancer	2A00-2F9Z	Phase 2	[6]
P276-00	DM9DJL2	Mantle cell lymphoma	2A85.5	Phase 2	[5]
P-276	DMMJUHD	Breast cancer	2C60-2C65	Phase 2	[7]
RGB-286638	DMEGOQP	Haematological malignancy	2B33.Y	Phase 1	[8]
AG-024322	DMY4WVK	Solid tumour/cancer	2A00-2F9Z	Phase 1	[5]
PHA-793887	DM2Y4FG	Solid tumour/cancer	2A00-2F9Z	Phase 1	[9]
Oxazolyl methylthiothiazole derivative 1	DMZM6FW	N. A.	N. A.	Patented	[4]
PMID25991433-Compound-A1	DM89LF0	N. A.	N. A.	Patented	[10]
KENPAULLONE	DMAGVXW	Discovery agent	N.A.	Patented	[11]

Drug(s) Targeting Cyclin-dependent kinase 2 (CDK2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
R-roscovitine	DMSH108	Non-small-cell lung cancer	2C25.Y	Phase 2	[5]
Ro 31-7453	DM83QCL	Solid tumour/cancer	2A00-2F9Z	Phase 2	[6]
PHA848125	DMS2Q9G	Thymic cancer	2C27	Phase 2	[12]
TG02	DMZFIGQ	Anaplastic astrocytoma	2A00.0	Phase 1/2	[13]
NUV-422	DMQJQNT	Malignant glioma	2A00.0	Phase 1/2	[14]
RGB-286638	DMEGOQP	Haematological malignancy	2B33.Y	Phase 1	[8]
FN-1501	DM7BMD6	Solid tumour/cancer	2A00-2F9Z	Phase 1	[15]
AG-024322	DMY4WVK	Solid tumour/cancer	2A00-2F9Z	Phase 1	[5]
PHA-793887	DM2Y4FG	Solid tumour/cancer	2A00-2F9Z	Phase 1	[9]
SNS-032	DMEITAS	Solid tumour/cancer	2A00-2F9Z	Phase 1	[16]

Drug(s) Targeting Glycogen phosphorylase muscle form (GP)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
URSOLIC ACID	DM4SOAW	Metabolic syndrome x	5C50-5D2Z	Phase 2	[17]
JTT-651	DMGP42Q	Type-2 diabetes	5A11	Discontinued in Phase 1	[18]
L-serine-O-phosphate	DMTJ1NH	Discovery agent	N.A.	Investigative	[1]
Beta-D-Glucose	DM5IHYP	Discovery agent	N.A.	Investigative	[1]
Inosinic Acid	DMLR86H	Discovery agent	N.A.	Investigative	[1]
Alpha-D-Glucose-6-Phosphate	DMR0EVN	Discovery agent	N.A.	Investigative	[1]
N'-Pyridoxyl-Lysine-5'-Monophosphate	DM3ZHBO	Discovery agent	N.A.	Investigative	[1]
OLEANOLIC_ACID	DMWDMJ3	Discovery agent	N.A.	Investigative	[19]
Oleanonic acid	DMYPJC3	Discovery agent	N.A.	Investigative	[19]
Nojirimycine Tetrazole	DMYZRTB	Discovery agent	N.A.	Investigative	[20]

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	Binder	[1]
Cyclin-dependent kinase 2 (CDK2)	TT7HF4W	CDK2_HUMAN	Inhibitor	[2]
Cyclin-dependent kinase 5 (CDK5)	TTL4Q97	CDK5_HUMAN	Inhibitor	[2]
Glycogen phosphorylase muscle form (GP)	TTZHY6R	PYGM_HUMAN	Inhibitor	[1]
Plasmodium CDK PfPK5 (Malaria PfPK5)	TT9PCE0	CDC2H_PLAFK	Inhibitor	[1]

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [2] Pharmacological inhibitors of cyclin-dependent kinases. Trends Pharmacol Sci. 2002 Sep;23(9):417-25.
• [3] 1-Azakenpaullone is a selective inhibitor of glycogen synthase kinase-3 beta. Bioorg Med Chem Lett. 2004 Jan 19;14(2):413-6.
• [4] Cyclin-dependent kinase inhibitors for cancer therapy: a patent review (2009 - 2014).Expert Opin Ther Pat. 2015;25(9):953-70.
• [5] Cell cycle kinases as therapeutic targets for cancer. Nat Rev Drug Discov. 2009 Jul;8(7):547-66.
• [6] A comparison of physicochemical property profiles of marketed oral drugs and orally bioavailable anti-cancer protein kinase inhibitors in clinical development. Curr Top Med Chem. 2007;7(14):1408-22.
• [7] P276-00, a novel cyclin-dependent inhibitor induces G1-G2 arrest, shows antitumor activity on cisplatin-resistant cells and significant in vivo efficacy in tumor models. Mol Cancer Ther. 2007 Mar;6(3):926-34.
• [8] Small-molecule multi-targeted kinase inhibitor RGB-286638 triggers P53-dependent and -independent anti-multiple myeloma activity through inhibition of transcriptional CDKs. Leukemia. 2013 Dec;27(12):2366-75.
• [9] A first in man, phase I dose-escalation study of PHA-793887, an inhibitor of multiple cyclin-dependent kinases (CDK2, 1 and 4) reveals unexpected h... Cell Cycle. 2011 Mar 15;10(6):963-70.
• [10] c-Jun N-terminal kinase inhibitors: a patent review (2010 - 2014).Expert Opin Ther Pat. 2015;25(8):849-72.
• [11] Discovery of novel CDK1 inhibitors by combining pharmacophore modeling, QSAR analysis and in silico screening followed by in vitro bioassay. Eur J Med Chem. 2010 Sep;45(9):4316-30.
• [12] Identification of N,1,4,4-tetramethyl-8-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide (PHA-848125), a potent, orally available cyclin dependent kinase inhibitor. J Med Chem. 2009 Aug 27;52(16):5152-63.
• [13] Preclinical metabolism and pharmacokinetics of SB1317 (TG02), a potent CDK/JAK2/FLT3 inhibitor. Drug Metab Lett. 2012 Mar;6(1):33-42.
• [14] ClinicalTrials.gov (NCT04541225) Phase 1/2 Dose Escalation, Safety, Pharmacokinetics, and Efficacy Study of NUV-422 in Adults With Recurrent or Refractory High-grade Gliomas and Solid Tumors. U.S.National Institutes of Health.
• [15] Discovery of 4-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-N-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-1H-pyrazole-3-carboxamide (FN-1501), an FLT3- and CDK-Kinase Inhibitor with Potentially High Efficiency against Acute Myelocytic Leukemia. J Med Chem. 2018 Feb 22;61(4):1499-1518.
• [16] Mechanism of action of SNS-032, a novel cyclin-dependent kinase inhibitor, in chronic lymphocytic leukemia. Blood. 2009 May 7;113(19):4637-45.
• [17] Synthesis of 3-deoxypentacyclic triterpene derivatives as inhibitors of glycogen phosphorylase. J Nat Prod. 2009 Aug;72(8):1414-8.
• [18] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800026877)
• [19] Naturally occurring pentacyclic triterpenes as inhibitors of glycogen phosphorylase: synthesis, structure-activity relationships, and X-ray crystal... J Med Chem. 2008 Jun 26;51(12):3540-54.
• [20] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.