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
ChEBI ID
CHEMBL4297488
UNII
46D4HS9ODA
DrugBank ID
DB16061
TTD ID
DV74BT
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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) 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.