Structure

InChI Key IPVQLZZIHOAWMC-QXKUPLGCSA-N
Smile CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC
InChI
InChI=1S/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)/t12-,13-,14-,15-,16-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H32N2O5
Molecular Weight 368.47
AlogP 1.94
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 95.94
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 26.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M2 family
- 2 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus, Type 2 3 D003924 ClinicalTrials
Cardiomyopathy, Dilated 3 D002311 ClinicalTrials
Hypertension 3 D006973 ClinicalTrials
Marfan Syndrome 3 D008382 ClinicalTrials
Alzheimer Disease 2 D000544 ClinicalTrials
Aortic Aneurysm, Abdominal 2 D017544 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Stress Disorders, Post-Traumatic 1 D013313 ClinicalTrials
Amphetamine-Related Disorders 1 D019969 ClinicalTrials
Substance-Related Disorders 1 D019966 ClinicalTrials

Related Entries

Salt
Salt

Cross References

Resources Reference
CAS NUMBER 82834-16-0
ChEBI 8024
ChEMBL CHEMBL1581
DrugBank DB00790
DrugCentral 2108
EPA CompTox DTXSID6023440
FDA SRS Y5GMK36KGY
Human Metabolome Database HMDB0014928
Guide to Pharmacology 6367
KEGG C07706
PharmGKB PA450877
PubChem 107807
SureChEMBL SCHEMBL16205
ZINC ZINC000003812867