Details of the Drug

General Information of Drug (ID: DM54FQA)

Drug Name

Samuraciclib

Synonyms

Samuraciclib; ICEC0942; CT7001; ICEC-0942; ICEC0942 free base; 1805833-75-3; CT-7001; 46D4HS9ODA; 1805833-75-3 (free base); Samuraciclib HCl; (3~{R},4~{R})-4-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol; (3R,4R)-4-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol; 3-Piperidinol, 4-(((3-(1-methylethyl)-7-((phenylmethyl)amino)pyrazolo(1,5-a)pyrimidin-5-yl)amino)methyl)-, (3R,4R)-; ICEC 0942; (3r,4r)-4-[[[7-[(Phenylmethyl)amino]-3-Propan-2-Yl-Pyrazolo[1,5-A]pyrimidin-5-Yl]amino]methyl]piperidin-3-Ol; 3-Piperidinol, 4-[[[3-(1-methylethyl)-7-[(phenylmethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]-, (3R,4R)-; Samuraciclib di-HCl; CT7001 di-HCl; SAMURACICLIB [INN]; UNII-46D4HS9ODA; CT-7001 di-HCl; CT7001 HCl; SAMURACICLIB [WHO-DD]; CT-7001 HCl; GTPL9903; CHEMBL4297488; SCHEMBL17032274; EX-A3445; BDBM50526797; NSC832261; NSC835588; NSC-832261; NSC-835588; HY-103712; (3R,4R)-4-((7-(benzylamino)-3-isopropylpyrazolo[1,5-a]pyrimidin-5-ylamino)methyl)piperidin-3-ol dihydrochloride; (3R,4R)-4-({[7-(benzylamino)-3-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino}methyl)piperidin-3-ol; 3-Piperidinol,4-[[[3-(1-methylethyl)-7-[(phenylmethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]-,(3R,4R)-

Indication

Disease Entry	ICD 11	Status	REF
Breast cancer	2C60-2C65	Phase 1/2	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecule

Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C22H30N6O
Canonical SMILES: CC(C)C1=C2N=C(C=C(N2N=C1)NCC3=CC=CC=C3)NCC4CCNCC4O
InChI: InChI=1S/C22H30N6O/c1-15(2)18-13-26-28-21(25-11-16-6-4-3-5-7-16)10-20(27-22(18)28)24-12-17-8-9-23-14-19(17)29/h3-7,10,13,15,17,19,23,25,29H,8-9,11-12,14H2,1-2H3,(H,24,27)/t17-,19+/m1/s1
InChIKey: YCVGLKWJKIKVBI-MJGOQNOKSA-N

Cross-matching ID

PubChem CID: 91844733
UNII: 46D4HS9ODA
DrugBank ID: DB16061
TTD ID: DV74BT

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cyclin-dependent kinase 7 (CDK7)	TTQYF7G	CDK7_HUMAN	Inhibitor	[2]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT04802759) A Phase Ib/II, Open-Label, Multicenter, Randomized Umbrella Study Evaluating the Efficacy and Safety of Multiple Treatment Combinations in Patients With Breast Cancer (MORPHEUS- BREAST CANCER). U.S.National Institutes of Health.
2	The CDK7 inhibitor CT7001 (Samuraciclib) targets proliferation pathways to inhibit advanced prostate cancer. Br J Cancer. 2023 Jun;128(12):2326-2337.