Details of the Drug

General Information of Drug (ID: DMJ9R4A)

Drug Name
ZK 304709
Synonyms ZK 304709; 1010440-84-2; ZK CDK; UNII-87GI98VT0I; SCHEMBL955299; 87GI98VT0I; DTXSID20143701
Indication
Disease Entry ICD 11 Status REF
Advanced solid tumour 2A00-2F9Z Discontinued in Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 445
Logarithm of the Partition Coefficient (xlogp) 3.6
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C22H29ClN6O2
IUPAC Name
4-[[3-chloro-5-(4-methylpiperazin-1-yl)benzoyl]amino]-N-cyclohexyl-1H-pyrazole-5-carboxamide
Canonical SMILES
CN1CCN(CC1)C2=CC(=CC(=C2)C(=O)NC3=C(NN=C3)C(=O)NC4CCCCC4)Cl
InChI
InChI=1S/C22H29ClN6O2/c1-28-7-9-29(10-8-28)18-12-15(11-16(23)13-18)21(30)26-19-14-24-27-20(19)22(31)25-17-5-3-2-4-6-17/h11-14,17H,2-10H2,1H3,(H,24,27)(H,25,31)(H,26,30)
InChIKey
OALDDSAHYZPJQM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
59733314
CAS Number
1010440-84-2
TTD ID
D00VBT

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 Inhibitor [2]
Cyclin-dependent kinase 2 (CDK2) TT7HF4W CDK2_HUMAN Inhibitor [2]
Cyclin-dependent kinase 4 (CDK4) TT0PG8F CDK4_HUMAN Inhibitor [2]
Cyclin-dependent kinase 7 (CDK7) TTQYF7G CDK7_HUMAN Inhibitor [2]
Cyclin-dependent kinase 9 (CDK9) TT1LVF2 CDK9_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Advanced solid tumour
ICD Disease Classification 2A00-2F9Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Cyclin-dependent kinase 1 (CDK1) DTT CDK1 5.27E-108 1.97 3.12
Cyclin-dependent kinase 2 (CDK2) DTT CDK2 2.28E-06 0.12 0.19
Cyclin-dependent kinase 9 (CDK9) DTT CDK9 4.38E-01 -0.04 -0.1
Cyclin-dependent kinase 4 (CDK4) DTT CDK4 3.30E-72 0.65 2.39
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800022386)
2 Cell cycle kinases as therapeutic targets for cancer. Nat Rev Drug Discov. 2009 Jul;8(7):547-66.