LEVOKETOCONAZOLE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 2DJ8R0NT7K

Structure
InChI Key XMAYWYJOQHXEEK-ZEQKJWHPSA-N
Smile CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
InChI
InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H28Cl2N4O4
Molecular Weight 531.44
AlogP 4.21
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 7.0
Polar Surface Area 69.06
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 36.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cytochrome P450 11A1 inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- 26.9-79 - - 65.35
Enzyme Transferase
- - - - 2.77

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cushing Syndrome 4 D003480 ClinicalTrials
Pituitary ACTH Hypersecretion 3 D047748 ClinicalTrials
Diabetes Mellitus, Type 2 2 D003924 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 142128-57-2
ChEBI 47518
ChEMBL CHEMBL295698
DrugBank DB01026
EPA CompTox DTXSID60161949
FDA SRS 2DJ8R0NT7K
Human Metabolome Database HMDB12242
PDB KLN
PharmGKB PA450146
PubChem 47576
SureChEMBL SCHEMBL41473
ZINC ZINC000000643153
CONTENTS