Details of the Drug

General Information of Drug (ID: DMS0QEP)

Drug Name
SB 206553
Synonyms
SB 206553; 158942-04-2; SB-206553; Tocris-1661; CHEMBL297784; CHEBI:8977; UNII-AL4387525T; AL4387525T; SB-206,553; 1-methyl-N-pyridin-3-yl-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide; SB-206553 hydrochloride hydrate; SB206553; Lopac-S-180; AC1L1JQU; AC1Q5NRE; Lopac0_001163; GTPL189; SCHEMBL1459242; ZINC5994; DTXSID9043984; CTK8H1211; BDBM50060417; pyrrolo[2,3-f]indole-1(2h)-carboxamide, 3,5-dihydro-5-methyl-n-3-pyridinyl-; AKOS027381420; 5-Methyl-N-(3-pyridinyl)-3,5-dihydropyrrolo[2,3-f]indole-1(2H)-carboxamide; CCG-205237
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 292.33
Logarithm of the Partition Coefficient (xlogp) 1.7
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C17H16N4O
IUPAC Name
1-methyl-N-pyridin-3-yl-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide
Canonical SMILES
CN1C=CC2=CC3=C(CCN3C(=O)NC4=CN=CC=C4)C=C21
InChI
InChI=1S/C17H16N4O/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22)
InChIKey
QJQORSLQNXDVGE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5163
ChEBI ID
CHEMBL297784
CAS Number
158942-04-2
TTD ID
D03YPJ
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Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 2B receptor (HTR2B) TT0K1SC 5HT2B_HUMAN Antagonist [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
5-hydroxytryptamine receptor 2C (HTR2C) OT6H8DE0 5HT2C_HUMAN Gene/Protein Processing [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
5-HT 2B receptor (HTR2B) DTT HTR2B 1.29E-01 -0.04 -0.14
5-HT 2B receptor (HTR2B) DTT HTR2B 1.13E-01 -0.04 -0.26
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Strain-dependent effects of diazepam and the 5-HT2B/2C receptor antagonist SB 206553 in spontaneously hypertensive and Lewis rats tested in the elevated plus-maze. Braz J Med Biol Res. 2001 May;34(5):675-82.
2 Inverse agonist and neutral antagonist actions of antidepressants at recombinant and native 5-hydroxytryptamine2C receptors: differential modulatio... Mol Pharmacol. 2008 Mar;73(3):748-57.