Details of the Drug

General Information of Drug (ID: DMS2RHE)

Drug Name
CP-470,711
Synonyms CP-470711; CHEMBL36514; SCHEMBL6294633; BDBM50113494; LS-135453
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 358.4
Logarithm of the Partition Coefficient (xlogp) 0.8
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C18H26N6O2
IUPAC Name
(1R)-1-[4-[(3S,5R)-4-[2-[(1R)-1-hydroxyethyl]pyrimidin-4-yl]-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol
Canonical SMILES
C[C@@H]1CN(C[C@@H](N1C2=NC(=NC=C2)[C@@H](C)O)C)C3=NC(=NC=C3)[C@@H](C)O
InChI
InChI=1S/C18H26N6O2/c1-11-9-23(15-5-7-19-17(21-15)13(3)25)10-12(2)24(11)16-6-8-20-18(22-16)14(4)26/h5-8,11-14,25-26H,9-10H2,1-4H3/t11-,12+,13-,14-/m1/s1
InChIKey
ATNZXIACLONSSN-XJFOESAGSA-N
Cross-matching ID
PubChem CID
9841731
ChEBI ID
CHEMBL36514
TTD ID
D05DAN
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
Sorbitoldehydrogenase (SORD) TTLSRBZ DHSO_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Sorbitol dehydrogenase: a novel target for adjunctive protection of ischemic myocardium. FASEB J. 2003 Dec;17(15):2331-3.