ANECORTAVE ACETATE

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Synonyms
Status
Molecule Category Free-form
UNII Y0PC411K4T
EPA CompTox DTXSID5046805

Structure

InChI Key YUWPMEXLKGOSBF-GACAOOTBSA-N
Smiles CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@@]21C
InChI
InChI=1S/C23H30O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h7,12,17,19,27H,4-6,8-11,13H2,1-3H3/t17-,19+,21+,22+,23+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H30O5
Molecular Weight 386.49
AlogP 3.3
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 80.67
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 28.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Mus musculus
212 - - - -

Cross References

Resources Reference
ChEBI 31215
ChEMBL CHEMBL2106613
DrugBank DB05288
DrugCentral 217
FDA SRS Y0PC411K4T
PubChem 111332
SureChEMBL SCHEMBL94110
ZINC ZINC000003931050
CONTENTS