Ligand id: 4702

Name: 4-AMBA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 63.32
Molecular weight 151.06
XLogP 0.95
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Darcel NP, Liou AP, Tomé D, Raybould HE. (2005)
Activation of vagal afferents in the rat duodenum by protein digests requires PepT1.
J. Nutr., 135 (6): 1491-5. [PMID:15930458]
2. Meredith D, Boyd CA, Bronk JR, Bailey PD, Morgan KM, Collier ID, Temple CS. (1998)
4-aminomethylbenzoic acid is a non-translocated competitive inhibitor of the epithelial peptide transporter PepT1.
J. Physiol. (Lond.), 512 ( Pt 3): 629-34. [PMID:9882198]