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
CHEBI:8977
CAS Number
158942-04-2
TTD ID
D03YPJ

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.