Details of the Drug

General Information of Drug (ID: DM3BL0G)

Drug Name

IODOINDOMETHACIN

Synonyms

Iodoindomethacin; 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-3-ACETIC ACID; CHEMBL590284; IMM; AC1L9LAG; SCHEMBL13290295; BDBM50308511; DB07983; 1-(4-iodobenzoyl)-5-methoxy-2-methyl-3-indoleacetic acid; [1-(4-iodobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid; 2-[1-(4-iodobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid; {1-[(4-iodophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}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)

449.2

Logarithm of the Partition Coefficient (xlogp)

4.3

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C19H16INO4
IUPAC Name: 2-[1-(4-iodobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
Canonical SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)I)C=CC(=C2)OC)CC(=O)O
InChI: InChI=1S/C19H16INO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
InChIKey: CXBFZYKAVCAPSV-UHFFFAOYSA-N