Details of the Drug

General Information of Drug (ID: DMWI094)

Drug Name
YM-43611
Indication
Disease Entry ICD 11 Status REF
Psychotic disorder 6A20-6A25 Terminated [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 427.9
Logarithm of the Partition Coefficient (xlogp) 3.2
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C23H26ClN3O3
IUPAC Name
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-chloro-4-(cyclopropanecarbonylamino)-2-methoxybenzamide
Canonical SMILES
COC1=CC(=C(C=C1C(=O)N[C@H]2CCN(C2)CC3=CC=CC=C3)Cl)NC(=O)C4CC4
InChI
InChI=1S/C23H26ClN3O3/c1-30-21-12-20(26-22(28)16-7-8-16)19(24)11-18(21)23(29)25-17-9-10-27(14-17)13-15-5-3-2-4-6-15/h2-6,11-12,16-17H,7-10,13-14H2,1H3,(H,25,29)(H,26,28)/t17-/m0/s1
InChIKey
CPVZPPFHQBIJNB-KRWDZBQOSA-N
Cross-matching ID
PubChem CID
9802631
ChEBI ID
CHEMBL328866
TTD ID
D0OW1R
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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 [2]
Dopamine D4 receptor (D4R) TTE0A2F DRD4_HUMAN Modulator [2]
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Molecular Expression Atlas of This Drug

The Studied Disease Psychotic disorder
ICD Disease Classification 6A20-6A25
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Dopamine D4 receptor (D4R) DTT DRD4 1.90E-01 0.19 0.76
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 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800005975)
2 Effects of YM-43611, a novel dopamine D2-like receptor antagonist, on immediate early gene expression in the rat forebrain. Neuropsychopharmacology. 1997 Jul;17(1):27-33.