General Information of Drug (ID: DMEUI8C)

Drug Name
N-mesityl-6-methyl-3-tosylpyridin-2-amine
Synonyms CHEMBL204967; N-mesityl-6-methyl-3-tosylpyridin-2-amine; SCHEMBL5861890
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) 380.5
Logarithm of the Partition Coefficient (xlogp) 5.9
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C22H24N2O2S
IUPAC Name
6-methyl-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=C2)C)NC3=C(C=C(C=C3C)C)C
InChI
InChI=1S/C22H24N2O2S/c1-14-6-9-19(10-7-14)27(25,26)20-11-8-18(5)23-22(20)24-21-16(3)12-15(2)13-17(21)4/h6-13H,1-5H3,(H,23,24)
InChIKey
VEYJKVDTZSJZQR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11245983
TTD ID
D02BYS

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.