LEVOKETOCONAZOLE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: R9400W927I

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cushing Syndrome 3 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 DB05667
EPA CompTox DTXSID60161949
FDA SRS R9400W927I
Human Metabolome Database HMDB0012242
PDB KLN
PharmGKB PA450146
PubChem 47576
SureChEMBL SCHEMBL41473
ZINC ZINC000000643153
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