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

General Information of Drug (ID: DMOERXK)

• Drug Name: L-751250 Drug Info
• Synonyms: Purvalanol B; 212844-54-7; PURVALANOL; Purvalanol B(NG-95); (R)-2-chloro-4-((2-((1-hydroxy-3-methylbutan-2-yl)amino)-9-isopropyl-9H-purin-6-yl)amino)benzoic acid; (2R)-2-[[6-[(3-CHLORO-4-CARBOXYPHENYL)AMINO]-9-(1-METHYLETHYL)-9H-PURIN-2-YL]AMINO]-3-METHYL-1-BUTANOL; CHEMBL23254; CHEBI:49840; NG 95; NG-95; C20H25ClN6O3; 2-chloro-4-[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]benzoic acid; J-502183; PVB

Indication

Disease Entry	ICD 11	Status	REF
Obesity	5B81	Preclinical	[1]

• Cross-matching ID:
  PubChem CID: 448991
  ChEBI ID: CHEBI:49840
  CAS Number: CAS 212844-54-7
  TTD Drug ID: DMOERXK

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	[4]
Roscovitine derivative 1	DMD1G3Z	N. A.	N. A.	Patented	[5]
Tricyclic benzimidazole derivative 1	DM5SD9E	N. A.	N. A.	Patented	[5]
4-(thiazol-5-yl)-pyrimidine derivative 2	DMMQFCN	N. A.	N. A.	Patented	[5]
Pyrazolo[1,5-a]-1,3,5-triazine derivative 1	DMOK7CW	N. A.	N. A.	Patented	[5]
Naphthyridine and isoquinoline derivative 1	DMTGIP7	N. A.	N. A.	Patented	[5]
PMID26161698-Compound-18	DM6JVR5	N. A.	N. A.	Patented	[5]
Flavonoid derivative 7	DM6A9UR	N. A.	N. A.	Patented	[5]
Olomoucine	DMNAFG1	N. A.	N. A.	Terminated	[3]
aloisine A	DM5U1LN	Discovery agent	N.A.	Investigative	[6]

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

Drug(s) Targeting Adrenergic receptor beta-3 (ADRB3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Mirabegron	DMS1GYT	Overactive bladder	GC50.0	Approved	[14]
Trihexyphenidyl	DMB19L8	Dystonia	8A02	Approved	[15]
Amosulalol	DML8QSZ	Hypertension	BA00-BA04	Approved	[16]
Bopindolol	DMIFYLX	Hypertension	BA00-BA04	Approved	[17]
Mepindolol	DMUDWP9	Angina pectoris	BA40	Approved	[18]
Rimiterol	DMA47C6	Asthma	CA23	Approved	[19]
Bitolterol	DMK6XAV	Chronic obstructive pulmonary disease	CA22	Approved	[20]
Nipradilol	DMA65ER	Angina pectoris	BA40	Approved	[21]
Vibegron	DMFR201	Overactive bladder	GC50.0	Approved	[22]
ONO-2506	DMCA2PJ	Stroke	8B20	Phase 2/3	[23]

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	[7]
Ro 31-7453	DM83QCL	Solid tumour/cancer	2A00-2F9Z	Phase 2	[8]
PHA848125	DMS2Q9G	Thymic cancer	2C27	Phase 2	[24]
TG02	DMZFIGQ	Anaplastic astrocytoma	2A00.0	Phase 1/2	[25]
NUV-422	DMQJQNT	Malignant glioma	2A00.0	Phase 1/2	[26]
RGB-286638	DMEGOQP	Haematological malignancy	2B33.Y	Phase 1	[10]
FN-1501	DM7BMD6	Solid tumour/cancer	2A00-2F9Z	Phase 1	[27]
AG-024322	DMY4WVK	Solid tumour/cancer	2A00-2F9Z	Phase 1	[7]
PHA-793887	DM2Y4FG	Solid tumour/cancer	2A00-2F9Z	Phase 1	[11]
SNS-032	DMEITAS	Solid tumour/cancer	2A00-2F9Z	Phase 1	[28]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor beta-3 (ADRB3)	TTMXGCW	ADRB3_HUMAN	Agonist	[1]
Cyclin-dependent kinase 1 (CDK1)	TTH6V3D	CDK1_HUMAN	Binder	[2]
Cyclin-dependent kinase 2 (CDK2)	TT7HF4W	CDK2_HUMAN	Inhibitor	[3]
Cyclin-dependent kinase 5 (CDK5)	TTL4Q97	CDK5_HUMAN	Inhibitor	[3]

References

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• [3] Pharmacological inhibitors of cyclin-dependent kinases. Trends Pharmacol Sci. 2002 Sep;23(9):417-25.
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• [7] Cell cycle kinases as therapeutic targets for cancer. Nat Rev Drug Discov. 2009 Jul;8(7):547-66.
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• [16] Effects of amosulalol, a combined alpha 1- and beta-adrenoceptor-blocking agent, on ischemic myocardial energy metabolism in dogs. J Pharm Sci. 1993 Mar;82(3):291-5.
• [17] Effect of propranolol, alprenolol, pindolol, and bopindolol on beta 2-adrenoceptor density in human lymphocytes. J Cardiovasc Pharmacol. 1986;8 Suppl 6:S70-3.
• [18] Pharmacological studies on the intrinsic sympathomimetic activity of the beta-adrenoceptor antagonist mepindolol. Arzneimittelforschung. 1986 May;36(5):811-3.
• [19] Comparison of the beta2-adrenoceptor selectivity of rimiterol, salbutamol and isoprenaline by the intravenous route in man. Br J Clin Pharmacol. 1975 Feb;2(1):41-8.
• [20] Bitolterol mesylate: a beta-adrenergic agent. Chemistry, pharmacokinetics, pharmacodynamics, adverse effects and clinical efficacy in asthma. Pharmacotherapy. 1985 May-Jun;5(3):127-37.
• [21] Actions of nipradilol (K-351), a new alpha- and beta-adrenoceptor blocker, on the rabbit portal vein. Jpn J Pharmacol. 1984 Aug;35(4):359-69.
• [22] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2020
• [23] FR149175, a beta 3-adrenoceptor-selective agonist, is a possible therapeutic agent for non-insulin-dependent diabetes mellitus. Jpn J Pharmacol. 1997 May;74(1):109-12.
• [24] 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.
• [25] Preclinical metabolism and pharmacokinetics of SB1317 (TG02), a potent CDK/JAK2/FLT3 inhibitor. Drug Metab Lett. 2012 Mar;6(1):33-42.
• [26] 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.
• [27] 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.
• [28] Mechanism of action of SNS-032, a novel cyclin-dependent kinase inhibitor, in chronic lymphocytic leukemia. Blood. 2009 May 7;113(19):4637-45.