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Compound Detail

CHEMBL195765

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CC1=C[C@@H](C)[C@@]2(CO)CO[C@@H](c3ccc(O)cc3)[C@@H]1[C@H]2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL195765
Phase Preclinical
Structure Type MOL
InChI Key DTZWKYVREFMAJA-KAEUXLIGSA-N
0
Targets
1
Activities
1
Assay Types
1
PK Parameters
1
Publications
0
Known Names

Molecular Properties

288.4
MW (Da)
3.29
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H24O3
MW 288.39
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 1.67

Activity Summary

IC50 1 meas.

Pharmacokinetic Data

Parameter Value Units Species
Ka 130000.0 1/M Homo sapiens

Literature References

PubMed DOI Target Context # Activities
15857126 10.1021/jm049087f Sex hormone-binding globulin 5

Data from ChEMBL 36 via Core Engine