MENATETRENONE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 27Y876D139

Structure
InChI Key DKHGMERMDICWDU-GHDNBGIDSA-N
Smile CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O
InChI
InChI=1S/C31H40O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-6H3/b23-14+,24-16+,25-20+

Physicochemical Descriptors

Property Name Value
Molecular Formula C31H40O2
Molecular Weight 444.66
AlogP 8.92
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 11.0
Polar Surface Area 34.14
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 33.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Cysteine protease Cysteine protease CA clan Cysteine protease C1A family
- 18000 - - -
Unclassified protein
- 15000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteoporosis, Postmenopausal 3 D015663 ClinicalTrials
Osteoporosis 3 D010024 ClinicalTrials
Carcinoma, Hepatocellular 2 D006528 ClinicalTrials
Renal Insufficiency, Chronic 2 D051436 ClinicalTrials
Thrombosis 2 D013927 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 863-61-6
ChEBI 78277
ChEMBL CHEMBL259223
DrugBank DB12148
DrugCentral 1685
EPA CompTox DTXSID6048969
FDA SRS 27Y876D139
Human Metabolome Database HMDB0030017
PubChem 5282367
SureChEMBL SCHEMBL434553
ZINC ZINC000003874199
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