General
Preferred name
L-β-Chloroalanine
Synonyms
beta-Chloro-L-alanine hydrochloride ()
¦Â-Chloro-L-alanine ()
L-¦Â-Chloroalanine ()
3-Chloro-L-alanine ()
??Chloro-L-alanine ()
L-??Chloroalanine ()
β-Chloro-L-alanine ()
3-Chloroalaninate ()
??-Chloro-L-alanine ()
P&D ID
PD034417
CAS
13215-35-5
3981-36-0
51887-89-9
39217-38-4
2731-73-9
Tags
available
drug candidate
Drug Status
experimental
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 29
DESCRIPTION ??-Chloro-L-alanine (L-??-Chloroalanine) is a bacteriostatic amino acid analog which inhibits a number of enzymes, including threonine deaminase and alanine racemase.
DESCRIPTION Alanine aminotransferase inhibitor (LOPAC library)
DESCRIPTION β-Chloro-L-alanine (L-β-Chloroalanine) is a bacteriostatic amino acid analog which inhibits a number of enzymes, including threonine deaminase and alanine racemase. (TargetMol Bioactive Compound Library)
Compound Sets
4
DrugBank
DB01735
LOPAC library
MedChem Express Bioactive Compound Library
HY-107373
TargetMol Bioactive Compound Library
T6987
External IDs
115
Properties
(calculated by RDKit )
Molecular Weight
123.01
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
0
Aromatic Ring Count
0
cLogP
-0.36
TPSA
63.32
Fraction CSP3
0.67
Chiral centers
1.0
Largest ring
0.0
QED
0.49
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
Alanine aminotransferase
Target
Bacterial
Pathway
Anti-infection
Microbiology/virology
Source data