KYT-0353   

GtoPdb Ligand ID: 9347

Synonyms: COMPOUND-JP [US20160279103] [1] | JPH-203 | JPH203 | KYT0353
Compound class: Synthetic organic
Comment: KYT-0353 (JPH-203) is a potent and selective inhibitor of L-type amino acid transporter 1 (SLC7A5) [2], being investigated as an anti-cancer agent. Structurally it is a tyrosine analog.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 124.6
Molecular weight 471.08
XLogP 1.81
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)C(Cc1cc(Cl)c(c(c1)Cl)OCc1cc(N)cc2c1oc(n2)c1ccccc1)N
Isomeric SMILES OC(=O)[C@H](Cc1cc(Cl)c(c(c1)Cl)OCc1cc(N)cc2c1oc(n2)c1ccccc1)N
InChI InChI=1S/C23H19Cl2N3O4/c24-16-6-12(8-18(27)23(29)30)7-17(25)21(16)31-11-14-9-15(26)10-19-20(14)32-22(28-19)13-4-2-1-3-5-13/h1-7,9-10,18H,8,11,26-27H2,(H,29,30)/t18-/m0/s1
InChI Key XNRZJPQTMQZBCE-SFHVURJKSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(2S)-2-amino-3-[4-[(5-amino-2-phenyl-1,3-benzoxazol-7-yl)methoxy]-3,5-dichlorophenyl]propanoic acid
Synonyms
COMPOUND-JP [US20160279103] [1] | JPH-203 | JPH203 | KYT0353
Comments
KYT-0353 (JPH-203) is a potent and selective inhibitor of L-type amino acid transporter 1 (SLC7A5) [2], being investigated as an anti-cancer agent. Structurally it is a tyrosine analog.
Database Links
CAS Registry No. 1037592-40-7
GtoPdb PubChem SID 328083449
PubChem CID 24853505
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