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]
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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: CHEBI:110200
CAS Number: 67287-49-4
TTD ID: D0OU7P

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]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Catechol O-methyltransferase (COMT)	OTPWKTQG	COMT_HUMAN	Biotransformations	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

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.
3	Molecular mechanisms controlling the rate and specificity of catechol O-methylation by human soluble catechol O-methyltransferase. Mol Pharmacol. 2001 Feb;59(2):393-402. doi: 10.1124/mol.59.2.393.