Details of the Drug

General Information of Drug (ID: DMT1OAH)

• Drug Name: SCH-23390
• Synonyms: Sch-23388; Lopac-D-054; AC1O7G1X; GTPL956; CHEMBL63321; SCH 23388 (S-enantiomer); SCHEMBL11107859; BDBM82248; GOTMKOSCLKVOGG-HNNXBMFYSA-N; ZINC2017840; PDSP1_001624; PDSP2_001608; PDSP2_000613; PDSP1_000616; NCGC00015301-01; (+)-SCH-23390; CAS_73445-63-3; (5S)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol; (1S)-7-chloro-3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 287.8
  Logarithm of the Partition Coefficient (xlogp); 4
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C17H18ClNO
  IUPAC Name: 8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
  Canonical SMILES: CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)O)Cl
  InChI: InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3
  InChIKey: GOTMKOSCLKVOGG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 5018
  ChEBI ID: CHEMBL13668
  TTD ID: D0L8PI
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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	Antagonist	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Dopamine D1 receptor (D1R)	DTT	DRD1	2.79E-02	-0.53	-0.53
Dopamine D1 receptor (D1R)	DTT	DRD1	4.77E-01	0.1	0.26

References

• [1] Dopamine modulates effort-based decision making in rats. Behav Neurosci. 2009 Apr;123(2):242-51.