Structure

InChI Key BIDNLKIUORFRQP-XYGFDPSESA-N
Smile CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)O)C(C)C
InChI
InChI=1S/C30H46NO7P/c1-4-28(33)37-30(22(2)3)38-39(36,18-12-11-15-23-13-7-5-8-14-23)21-27(32)31-20-25(19-26(31)29(34)35)24-16-9-6-10-17-24/h5,7-8,13-14,22,24-26,30H,4,6,9-12,15-21H2,1-3H3,(H,34,35)/t25-,26+,30+,39-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H46NO7P
Molecular Weight 563.67
AlogP 6.12
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 14.0
Polar Surface Area 110.21
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 39.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M2 family
- 1 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetic Nephropathies 2 D003928 ClinicalTrials
Hypertension 2 D006973 ClinicalTrials
Heart Diseases 2 D006331 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 98048-97-6
ChEMBL CHEMBL3039598
DrugCentral 1245
FDA SRS R43D2573WO
Guide to Pharmacology 6456
PubChem 45357796
SureChEMBL SCHEMBL5928355
ZINC ZINC000003977764