benzylserine   

GtoPdb Ligand ID: 4500

Synonyms: O-benzyl-L-serine
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 72.55
Molecular weight 195.09
XLogP -1.73
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES NC(C(=O)O)COCc1ccccc1
Isomeric SMILES N[C@H](C(=O)O)COCc1ccccc1
InChI InChI=1S/C10H13NO3/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
InChI Key IDGQXGPQOGUGIX-VIFPVBQESA-N
Selectivity at transporters
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Alanine/serine/cysteine transporter 2 Hs Inhibitor Inhibition 3.0 pKi - 1
pKi 3.0 (Ki 9x10-4 M) [1]