Details of the Drug

General Information of Drug (ID: DMV0EDM)

Drug Name
PD-152255
Synonyms 164917-23-1
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 3 Molecular Weight (mw) 723
Logarithm of the Partition Coefficient (xlogp) 8.9
Rotatable Bond Count (rotbonds) 16
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C46H54N6O2
IUPAC Name
2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-[(E)-4-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]benzimidazol-1-yl]but-2-enyl]benzimidazole
Canonical SMILES
C1CCN(CC1)CCCOC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3C/C=C/CN5C6=CC=CC=C6N=C5C7=CC=C(C=C7)OCCCN8CCCCC8
InChI
InChI=1S/C46H54N6O2/c1-7-27-49(28-8-1)31-13-35-53-39-23-19-37(20-24-39)45-47-41-15-3-5-17-43(41)51(45)33-11-12-34-52-44-18-6-4-16-42(44)48-46(52)38-21-25-40(26-22-38)54-36-14-32-50-29-9-2-10-30-50/h3-6,11-12,15-26H,1-2,7-10,13-14,27-36H2/b12-11+
InChIKey
RTRBUDIKCGJLKP-VAWYXSNFSA-N
Cross-matching ID
PubChem CID
9961911
TTD ID
D05NQX

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dopamine D3 receptor (D3R) TT4C8EA DRD3_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
Dopamine D3 receptor (D3R) DTT DRD3 2.84E-03 0.13 2
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Pharmacological characterization of PD 152255, a novel dimeric benzimidazole dopamine D3 antagonist. Pharmacol Biochem Behav. 1998 Feb;59(2):487-93.