UK-396,082

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 2Q5861SUIG

Structure
InChI Key OTDGPKRCQXSTPV-JTQLQIEISA-N
Smile CCCn1cnc(C[C@H](CCCN)C(=O)O)c1
InChI
InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H21N3O2
Molecular Weight 239.32
AlogP 1.28
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 81.14
Molecular species ZWITTERION
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Primary Target
Carboxypeptidase B2 (plasma)
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Metallo protease Metallo protease MC clan Metallo protease M14A subfamily
- 450-5000 - 10-16 -

Cross References

Resources Reference
CAS NUMBER 400044-47-5
ChEMBL CHEMBL398110
DrugBank DB12099
EPA CompTox DTXSID70193074
FDA SRS 2Q5861SUIG
Guide to Pharmacology 8657
PDB 720
PubChem 11241908
SureChEMBL SCHEMBL3841442
ZINC ZINC000001910640
CONTENTS