U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H27N2O5P
Molecular Weight 418.4232
Optical Activity ( + )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PL-265 active metabolite

SMILES

C[C@H](N)P(O)(=O)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)N[C@@H](C)C(O)=O

InChI

InChIKey=CWJPVKSBGVPXRD-QMTMVMCOSA-N
InChI=1S/C21H27N2O5P/c1-14(21(25)26)23-20(24)19(13-29(27,28)15(2)22)12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,14-15,19H,12-13,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/t14-,15+,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H27N2O5P
Molecular Weight 418.4232
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:57:11 UTC 2023
Edited
by admin
on Sat Dec 16 19:57:11 UTC 2023
Record UNII
227MQ6QL9D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PL-265 active metabolite
Code English
L-Alanine, N-[(2S)-3-[[(1R)-1-aminoethyl]hydroxyphosphinyl]-2-([1,1′-biphenyl]-4-ylmethyl)-1-oxopropyl]-
Common Name English
N-[(2S)-3-[[(1R)-1-Aminoethyl]hydroxyphosphinyl]-2-([1,1′-biphenyl]-4-ylmethyl)-1-oxopropyl]-L-alanine
Systematic Name English
PL265 active metabolite
Code English
Code System Code Type Description
CAS
216097-44-8
Created by admin on Sat Dec 16 19:57:11 UTC 2023 , Edited by admin on Sat Dec 16 19:57:11 UTC 2023
PRIMARY
PUBCHEM
5478838
Created by admin on Sat Dec 16 19:57:11 UTC 2023 , Edited by admin on Sat Dec 16 19:57:11 UTC 2023
PRIMARY
FDA UNII
227MQ6QL9D
Created by admin on Sat Dec 16 19:57:11 UTC 2023 , Edited by admin on Sat Dec 16 19:57:11 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IC50
TARGET -> INHIBITOR
Ki
Related Record Type Details
PRODRUG -> METABOLITE ACTIVE
Related Record Type Details
ACTIVE MOIETY