Details of the Drug

General Information of Drug (ID: DMCG26A)

Drug Name

N5-[4-(Phenylmethoxy)phenyl]-L-glutamine

Synonyms

(2S)-2-amino-4-{[4-(benzyloxy)phenyl]carbamoyl}butanoic acid; (2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid; Amino acid analog, 4f; CHEMBL478381; BDBM24256; N-[4-(benzyloxy)phenyl]-L-glutamine; DB07102; N-[4-(phenylmethoxy)phenyl]-L-glutamine

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)

328.4

Logarithm of the Partition Coefficient (xlogp)

-0.7

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C18H20N2O4
IUPAC Name: (2S)-2-amino-5-oxo-5-(4-phenylmethoxyanilino)pentanoic acid
Canonical SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CC[C@@H](C(=O)O)N
InChI: InChI=1S/C18H20N2O4/c19-16(18(22)23)10-11-17(21)20-14-6-8-15(9-7-14)24-12-13-4-2-1-3-5-13/h1-9,16H,10-12,19H2,(H,20,21)(H,22,23)/t16-/m0/s1
InChIKey: BYSBXIPCDJNEBG-INIZCTEOSA-N