CYCLOSERINE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC J04AB01
UNII 95IK5KI84Z
EPA CompTox DTXSID8022870

Structure

InChI Key DYDCUQKUCUHJBH-UWTATZPHSA-N
Smiles N[C@@H]1CONC1=O
InChI
InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H6N2O2
Molecular Weight 102.09
AlogP -1.62
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Polar Surface Area 64.35
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 7.0

Pharmacology

Mechanism of Action Action Reference
Alanine racemase inhibitor INHIBITOR ISBN PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Isomerase
- - - - 10
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 3
Mycobacterium bovis BCG
- - - - 50-71
Mycobacterium tuberculosis
- - - - 50-67
Mycobacterium tuberculosis H37Ra
- - - - 50-100
Mycobacterium tuberculosis H37Rv
- - - - 10-97.7
Mycobacterium tuberculosis variant bovis BCG
- - - - 50-71

Cross References

Resources Reference
ChEBI 40009
ChEMBL CHEMBL771
DrugBank DB00260
DrugCentral 759
FDA SRS 95IK5KI84Z
Human Metabolome Database HMDB0014405
Guide to Pharmacology 9489
KEGG C08057
PDB 4AX
PubChem 6234
SureChEMBL SCHEMBL34322
ZINC ZINC000034676245
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