Details of the Drug

General Information of Drug (ID: DM9X1DZ)

Drug Name
BIMG80
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) 406.5
Topological Polar Surface Area (xlogp) 4.3
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C25H27FN2O2
IUPAC Name
1-(4-fluorophenyl)-4-[5-[(5-methoxy-1H-indol-3-yl)methyl]-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
Canonical SMILES
COC1=CC2=C(C=C1)NC=C2CC3=CCCN(C3)CCCC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C25H27FN2O2/c1-30-22-10-11-24-23(15-22)20(16-27-24)14-18-4-2-12-28(17-18)13-3-5-25(29)19-6-8-21(26)9-7-19/h4,6-11,15-16,27H,2-3,5,12-14,17H2,1H3
InChIKey
CIPFPNCFILKTBF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9866050
TTD ID
D0EH2O

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dopamine D1 receptor (D1R) TTZFYLI DRD1_HUMAN Modulator [2]
Dopamine D2 receptor (D2R) TTEX248 DRD2_HUMAN Modulator [2]
Dopamine D4 receptor (D4R) TTE0A2F DRD4_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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 D1 receptor (D1R) DTT DRD1 8.99E-01 -0.06 -0.3
Dopamine D2 receptor (D2R) DTT DRD2 2.20E-03 -0.51 -1.35
Dopamine D4 receptor (D4R) DTT DRD4 1.90E-01 0.19 0.76
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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