Details of the Drug

General Information of Drug (ID: DMNA9KW)

• Drug Name: CCT251545
• Synonyms: 1661839-45-7; 8-(3-chloro-5-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)pyridin-4-yl)-2,8-diazaspiro[4.5]decan-1-one; CHEMBL3408213; 8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one; CCT-251545; 8-{3-Chloro-5-[4-(1-Methyl-1h-Pyrazol-4-Yl)phenyl]pyridin-4-Yl}-2,8-Diazaspiro[4.5]decan-1-One; GTPL8945; SCHEMBL17113515; CHEBI:143114; AMY16654; BCP17378; EX-A2539; BDBM50073190; NSC784591; s7981; ZINC212373586; CCT 251545; CS-5359; NSC-784591; AC-31717; HY-12681; DB-119021; CCT 251545;CCT-251545; CCT-251545;CCT 251545; Q27075796; 2,8-Diazaspiro[4.5]decan-1-one, 8-[3-chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-; 4TV; 8-[3-Chloro-5-[4-(1-methyl-1H-pyrazole-4-yl)phenyl]-4-pyridyl]-2,8-diazaspiro[4.5]decane-1-one

Indication

Disease Entry	ICD 11	Status	REF
Colorectal cancer	2B91.Z	Preclinical	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 421.9
  Logarithm of the Partition Coefficient (xlogp); 2.9
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C23H24ClN5O
  IUPAC Name: 8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
  Canonical SMILES: CN1C=C(C=N1)C2=CC=C(C=C2)C3=CN=CC(=C3N4CCC5(CCNC5=O)CC4)Cl
  InChI: InChI=1S/C23H24ClN5O/c1-28-15-18(12-27-28)16-2-4-17(5-3-16)19-13-25-14-20(24)21(19)29-10-7-23(8-11-29)6-9-26-22(23)30/h2-5,12-15H,6-11H2,1H3,(H,26,30)
  InChIKey: LBFYQISQYCGDDW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 77050682
  ChEBI ID: CHEBI:143114
  TTD ID: D70HIN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cyclin-dependent kinase 8 (CDK8)	TTBJR4L	CDK8_HUMAN	Inhibitor	[1]

References

• [1] Kinase inhibitors: the road ahead. Nat Rev Drug Discov. 2018 May;17(5):353-377.