Details of the Drug

General Information of Drug (ID: DMOVLDT)

Drug Name
SB-247853
Synonyms 5-Methyl-N-[6-(2-pyridylmethoxy)pyridin-3-yl]-6-(trifluoromethyl)indoline-1-carboxamide
Indication
Disease Entry ICD 11 Status REF
Anxiety disorder 6B00-6B0Z Discontinued in Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 428.4
Logarithm of the Partition Coefficient (xlogp) 3.6
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C22H19F3N4O2
IUPAC Name
5-methyl-N-[6-(pyridin-2-ylmethoxy)pyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
Canonical SMILES
CC1=CC2=C(C=C1C(F)(F)F)N(CC2)C(=O)NC3=CN=C(C=C3)OCC4=CC=CC=N4
InChI
InChI=1S/C22H19F3N4O2/c1-14-10-15-7-9-29(19(15)11-18(14)22(23,24)25)21(30)28-16-5-6-20(27-12-16)31-13-17-4-2-3-8-26-17/h2-6,8,10-12H,7,9,13H2,1H3,(H,28,30)
InChIKey
KLAHZRONIHBPPB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9888804
ChEBI ID
CHEMBL54719
TTD ID
D04DGE
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
5-HT 2C receptor (HTR2C) TTWJBZ5 5HT2C_HUMAN Agonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Anxiety disorder
ICD Disease Classification 6B00-6B0Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
5-HT 2C receptor (HTR2C) DTT HTR2C 1.02E-02 -0.45 -0.37
5-HT 2C receptor (HTR2C) DTT HTR2C 2.27E-01 0.27 0.6
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800016366)
2 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800016366)