Details of the Drug

General Information of Drug (ID: DMM2Q9L)

Drug Name

ADS-103294

Synonyms

ADS-103294; CHEMBL214678; SCHEMBL6533940; BDBM50200791

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

406.4

Logarithm of the Partition Coefficient (xlogp)

4.3

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C20H21F3N4O2
IUPAC Name: N-[3-methyl-2-(propan-2-ylamino)benzimidazol-5-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
Canonical SMILES: CC(C)NC1=NC2=C(N1C)C=C(C=C2)NC(=O)COC3=CC=C(C=C3)C(F)(F)F
InChI: InChI=1S/C20H21F3N4O2/c1-12(2)24-19-26-16-9-6-14(10-17(16)27(19)3)25-18(28)11-29-15-7-4-13(5-8-15)20(21,22)23/h4-10,12H,11H2,1-3H3,(H,24,26)(H,25,28)
InChIKey: YFLYQHULFMRTHA-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Melanin-concentrating hormone receptor 1 (MCHR1)	TTX4RTB	MCHR1_HUMAN	Inhibitor	[1]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Melanin-concentrating hormone receptor 1 (MCHR1)	DTT	MCHR1	6.98E-01	-0.01	-0.04

Molecular Expression Atlas (MEA)

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Quinazoline and benzimidazole MCH-1R antagonists. Bioorg Med Chem Lett. 2007 Mar 1;17(5):1403-7.