Details of the Drug

General Information of Drug (ID: DMBQY3C)

Drug Name

Inhibitor Idd 384

Synonyms

INHIBITOR IDD 384; CHEMBL240719; [2,6-dimethyl-4-(2-o-tolyl-acetylamino)-benzenesulfonyl]-glycine; I84; AC1L1CKR; BDBM50222612; DB01689; 2-(2,6-dimethyl-4-(2-o-tolylacetamido)phenylsulfonamido)acetic acid; N-[(2,6-dimethyl-4-{[(2-methylphenyl)acetyl]amino}phenyl)sulfonyl]glycine; 2-[[2,6-dimethyl-4-[[2-(2-methylphenyl)acetyl]amino]phenyl]sulfonylamino]acetic acid

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

390.5

Logarithm of the Partition Coefficient (xlogp)

2.3

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C19H22N2O5S
IUPAC Name: 2-[[2,6-dimethyl-4-[[2-(2-methylphenyl)acetyl]amino]phenyl]sulfonylamino]acetic acid
Canonical SMILES: CC1=CC=CC=C1CC(=O)NC2=CC(=C(C(=C2)C)S(=O)(=O)NCC(=O)O)C
InChI: InChI=1S/C19H22N2O5S/c1-12-6-4-5-7-15(12)10-17(22)21-16-8-13(2)19(14(3)9-16)27(25,26)20-11-18(23)24/h4-9,20H,10-11H2,1-3H3,(H,21,22)(H,23,24)
InChIKey: CJKKMQCZOLCXAM-UHFFFAOYSA-N