Details of the Drug

General Information of Drug (ID: DMVZQ47)

Drug Name
UR-12519
Synonyms 149692-09-1
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) 421.5
Logarithm of the Partition Coefficient (xlogp) 1.5
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C23H27N5O3
IUPAC Name
methyl N-[3-[4-[cyano-(2-methylpyridin-3-yl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]carbamate
Canonical SMILES
CC1=C(C=CC=N1)C(C#N)N2CCN(CC2)C(=O)CC(C3=CC=CC=C3)NC(=O)OC
InChI
InChI=1S/C23H27N5O3/c1-17-19(9-6-10-25-17)21(16-24)27-11-13-28(14-12-27)22(29)15-20(26-23(30)31-2)18-7-4-3-5-8-18/h3-10,20-21H,11-15H2,1-2H3,(H,26,30)
InChIKey
PMKMCABYJLILBB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3025824
CAS Number
149692-09-1
TTD ID
D00JJP

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Platelet-activating factor receptor (PTAFR) TTQL5VC PTAFR_HUMAN Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Platelet-activating factor receptor (PTAFR) DTT PTAFR 3.53E-02 0.33 2.12
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Evidence for the autocrine induction of capacitation of mammalian spermatozoa.J Biol Chem.2001 Jul 20;276(29):26962-8.