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
  ChEBI ID: CHEMBL540857
  CAS Number: 90955-43-4
  TTD ID: D0P4BY
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

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.