Details of the Drug

General Information of Drug (ID: DMIMJ8Z)

Drug Name
SKF 38393
Synonyms
SKF-38393; F-38393; 67287-49-4; F 38393; SKF38393; BRN 1543419; CHEMBL286080; 1-phenyl-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol; 2,3,4,5-Tetrahydro-1-phenyl-1H-3-benzazepine-7,8-diol; 1H-3-Benzazepine-7,8-diol, 2,3,4,5-tetrahydro-1-phenyl-; 2,3,4,5-Tetrahydro-7,8-dihydroxy-1-phenyl-1H-3-benzazepine; SKF-38,393; SK-38393; C16H17NO2; 5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol; 1-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol
Indication
Disease Entry ICD 11 Status REF
Type-2 diabetes 5A11 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 255.31
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C16H17NO2
IUPAC Name
5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
Canonical SMILES
C1CNCC(C2=CC(=C(C=C21)O)O)C3=CC=CC=C3
InChI
InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2
InChIKey
JUDKOGFHZYMDMF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
1242
ChEBI ID
CHEMBL286080
CAS Number
67287-49-4
TTD ID
D0OU7P
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Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
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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 Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Type-2 diabetes
ICD Disease Classification 5A11
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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 935).
2 The D1 dopamine receptor agonist SKF-38393 stimulates the release of glutamate in the hippocampus. Neuroscience. 1999;94(4):1063-70.