Details of the Drug

General Information of Drug (ID: DMY8NUF)

Drug Name
CEP-9722
Indication
Disease Entry ICD 11 Status REF
Cerebrovascular ischaemia 8B1Z Phase 1/2 [1]
Non-small-cell lung cancer 2C25.Y Phase 1/2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 418.5
Logarithm of the Partition Coefficient (xlogp) 3.1
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C24H26N4O3
IUPAC Name
14-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione
Canonical SMILES
CN1CCN(CC1)CN2C(=O)C3=C(C2=O)C4=C(C5=C3CCC5)NC6=C4C(=CC=C6)OC
InChI
InChI=1S/C24H26N4O3/c1-26-9-11-27(12-10-26)13-28-23(29)18-14-5-3-6-15(14)22-20(21(18)24(28)30)19-16(25-22)7-4-8-17(19)31-2/h4,7-8,25H,3,5-6,9-13H2,1-2H3
InChIKey
CTLOSZHDGZLOQE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
24780387
CAS Number
916574-83-9
DrugBank ID
DB14882
TTD ID
D0Q9IK
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Poly [ADP-ribose] polymerase (PARP) TTEBCY8 NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT01311713) Study to Determine the Maximum Tolerated Dose of the PARP Inhibitor CEP-9722 in Patients With Solid Tumors. U.S. National Institutes of Health.
2 Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.