Details of the Drug

General Information of Drug (ID: DMOZQHX)

Drug Name

BVT-3498

Synonyms

AMG-311

Indication

Disease Entry	ICD 11	Status	REF
Metabolic disorder	5C50-5D2Z	Terminated	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

415.9

Logarithm of the Partition Coefficient (xlogp)

2.3

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C16H18ClN3O4S2
IUPAC Name: 3-chloro-2-methyl-N-[4-[2-(3-oxomorpholin-4-yl)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide
Canonical SMILES: CC1=C(C=CC=C1Cl)S(=O)(=O)NC2=NC(=CS2)CCN3CCOCC3=O
InChI: InChI=1S/C16H18ClN3O4S2/c1-11-13(17)3-2-4-14(11)26(22,23)19-16-18-12(10-25-16)5-6-20-7-8-24-9-15(20)21/h2-4,10H,5-9H2,1H3,(H,18,19)
InChIKey: WZFZJEPHYDDFCT-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Corticosteroid 11-beta-dehydrogenase 1 (HSD11B1)	TTN7BL9	DHI1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Metabolic disorder

ICD Disease Classification

5C50-5D2Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Corticosteroid 11-beta-dehydrogenase 1 (HSD11B1)	DTT	HSD11B1	2.03E-01	-0.01	-0.08

Molecular Expression Atlas (MEA)

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References

1	Current and future drug targets in weight management. Pharm Res. 2011 Aug;28(8):1792-818.