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]
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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
CAS Number: 344607-69-8
TTD ID: D03GLM

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 Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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)

MEA Detail

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.