Details of the Drug

General Information of Drug (ID: DM6SC5K)

• Drug Name: SCH-24518
• Synonyms: CHEMBL292418; CHEMBL540857; Sch-24518; 8-Chloro-2,3,4,5-tetrahydro-5-phenyl-1H-3-benzazepin-7-ol; ACMC-20mac5; AC1L3SVB; SCHEMBL13007204; BDBM50004796; 8-chloro-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol; 8-Chloro-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ol

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 354.7
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 1
  Hydrogen Bond Donor Count; 3
  Hydrogen Bond Acceptor Count; 2
• Chemical Identifiers:
  Formula: C16H17BrClNO
  IUPAC Name: 8-chloro-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol;hydrobromide
  Canonical SMILES: C1CNCC(C2=CC(=C(C=C21)Cl)O)C3=CC=CC=C3.Br
  InChI: InChI=1S/C16H16ClNO.BrH/c17-15-8-12-6-7-18-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11;/h1-5,8-9,14,18-19H,6-7,10H2;1H
  InChIKey: XSWVQBLZJAURQF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 146265
  CAS Number: 90955-43-4
  TTD ID: D0P4BY

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	Inhibitor	[1]
Dopamine D2 receptor (D2R)	TTEX248	DRD2_HUMAN	Inhibitor	[1]

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 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

References

• [1] Synthesis and pharmacological characterization of 1-phenyl-, 4-phenyl-, and 1-benzyl-1,2,3,4-tetrahydroisoquinolines as dopamine receptor ligands. J Med Chem. 1988 Oct;31(10):1941-6.