Details of the Drug

General Information of Drug (ID: DMI065U)

Drug Name

N-mesityl-4,6-dimethyl-3-tosylpyridin-2-amine

Synonyms

CHEMBL203609; N-mesityl-4,6-dimethyl-3-tosylpyridin-2-amine

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): 1

Molecular Weight (mw)

394.5

Logarithm of the Partition Coefficient (xlogp)

6.3

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C23H26N2O2S
IUPAC Name: 4,6-dimethyl-3-(4-methylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)pyridin-2-amine
Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2=C(N=C(C=C2C)C)NC3=C(C=C(C=C3C)C)C
InChI: InChI=1S/C23H26N2O2S/c1-14-7-9-20(10-8-14)28(26,27)22-18(5)13-19(6)24-23(22)25-21-16(3)11-15(2)12-17(21)4/h7-13H,1-6H3,(H,24,25)
InChIKey: IJUWFQLWCMTNLD-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Corticotropin-releasing factor receptor 1 (CRHR1)	TT7EFHR	CRFR1_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
Corticotropin-releasing factor receptor 1 (CRHR1)	DTT	CRHR1	7.70E-01	-0.02	-0.1

Molecular Expression Atlas (MEA)

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Synthesis and evaluation of 2-anilino-3-phenylsulfonyl-6-methylpyridines as corticotropin-releasing factor1 receptor ligands. Bioorg Med Chem Lett. 2006 Feb 15;16(4):934-7.