Details of the Drug

General Information of Drug (ID: DMMBTU6)

Drug Name
BMS-210285
Synonyms
UNII-WS7S13Q9RH; WS7S13Q9RH; CHEMBL60116; BMS-210285; 344607-69-8; SCHEMBL13550990; BDBM50073046; Methanesulfonamide, N-(5-((1R)-2-(((1R)-2-(3-chlorophenyl)-1-(4-(difluoromethoxy)phenyl)ethyl)amino)-1-hydroxyethyl)-2-hydroxyphenyl)-; N-(5-{(R)-2-[(R)-2-(3-Chloro-phenyl)-1-(4-difluoromethoxy-phenyl)-ethylamino]-1-hydroxy-ethyl}-2-hydroxy-phenyl)-methanesulfonamide
Indication
Disease Entry ICD 11 Status REF
Type-2 diabetes 5A11 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 527
Logarithm of the Partition Coefficient (xlogp) 4.3
Rotatable Bond Count (rotbonds) 11
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C24H25ClF2N2O5S
IUPAC Name
N-[5-[(1R)-2-[[(1R)-2-(3-chlorophenyl)-1-[4-(difluoromethoxy)phenyl]ethyl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide
Canonical SMILES
CS(=O)(=O)NC1=C(C=CC(=C1)[C@H](CN[C@H](CC2=CC(=CC=C2)Cl)C3=CC=C(C=C3)OC(F)F)O)O
InChI
InChI=1S/C24H25ClF2N2O5S/c1-35(32,33)29-21-13-17(7-10-22(21)30)23(31)14-28-20(12-15-3-2-4-18(25)11-15)16-5-8-19(9-6-16)34-24(26)27/h2-11,13,20,23-24,28-31H,12,14H2,1H3/t20-,23+/m1/s1
InChIKey
DSEGFUSAJVUFLK-OFNKIYASSA-N
Cross-matching ID
PubChem CID
9828292
ChEBI ID
CHEMBL60116
CAS Number
344607-69-8
TTD ID
D03GLM
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adrenergic receptor beta-3 (ADRB3) TTMXGCW ADRB3_HUMAN Agonist [2]
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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
Adrenergic receptor beta-3 (ADRB3) DTT ADRB3 7.81E-01 0.02 0.16
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 800010623)
2 CA patent application no. 509835, Nitrogen-containing heterocyclic derivatives, medicinal compositions containing the same and medicinal use thereof.