Details of the Drug

General Information of Drug (ID: DMHNJDE)

Drug Name

Gamma-Glutamyl[S-(2-Iodobenzyl)Cysteinyl]Glycine

Synonyms

GAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINE; IBG; AC1L9KH0; SCHEMBL433962; DB03597; L-gamma-glutamyl-S-(2-iodobenzyl)-L-cysteinylglycine; (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(2-iodophenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic 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): 2

Molecular Weight (mw)

523.299

Logarithm of the Partition Coefficient (xlogp)

-2

Rotatable Bond Count (rotbonds)

12

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C17H22IN3O6S
IUPAC Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(2-iodophenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Canonical SMILES: C1=CC=C(C(=C1)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)I
InChI: InChI=1S/C17H22IN3O6S/c18-11-4-2-1-3-10(11)8-28-9-13(16(25)20-7-15(23)24)21-14(22)6-5-12(19)17(26)27/h1-4,12-13H,5-9,19H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27)/t12-,13-/m0/s1
InChIKey: QFYJAEOZTBVJQM-STQMWFEESA-N