Details of the Drug

General Information of Drug (ID: DMNAECP)

Drug Name
SR-147778
Synonyms
Surinabant; SR-147778; UNII-SF8R9VCB0X; 288104-79-0; SR147778; SR 147778; SF8R9VCB0X; CHEMBL189676; Surinabant [INN]; DSSTox_CID_27357; DSSTox_RID_82293; DSSTox_GSID_47357; SCHEMBL675894; GTPL9233; DTXSID2047357; CHEBI:125484; ZINC1549068; Tox21_300239; BDBM50171290; DB13070; NCGC00254070-01; NCGC00247959-01; 5-(4-Bromophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-(1-piperidinyl)-1H-pyrazole-3-carboxamide; LS-193786; FT-0766481; CAS-288104-79-0; BRD-K09557221-001-01-6
Indication
Disease Entry ICD 11 Status REF
Obesity 5B81 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 522.299
Logarithm of the Partition Coefficient (xlogp) 7
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C23H23BrCl2N4O
IUPAC Name
5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-ylpyrazole-3-carboxamide
Canonical SMILES
CCC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Br
InChI
InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
InChIKey
HMXDWDSNPRNUKI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9849616
ChEBI ID
CHEMBL189676
CAS Number
288104-79-0
UNII
SF8R9VCB0X
DrugBank ID
DB13070
TTD ID
D0W3GL
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
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
Cannabinoid receptor 1 (CB1) TT6OEDT CNR1_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 Obesity
ICD Disease Classification 5B81
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Cannabinoid receptor 1 (CB1) DTT CNR1 5.59E-02 -0.22 -0.45
Cannabinoid receptor 1 (CB1) DTT CNR1 7.68E-01 -0.06 -0.46
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00239174) A Multicenter Study to Evaluate the Efficacy and Safety of of Four Doses of SR147778 in Obese Patients. U.S. National Institutes of Health.
2 Surinabant, a selective cannabinoid receptor type 1 antagonist, inhibits 9-tetrahydrocannabinol-induced central nervous system and heart rate effects in humans.Br J Clin Pharmacol.2013 Jul;76(1):65-77.