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Compound Detail

CHEMBL60687

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CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)[C@@H]2C1

Basic Information

ChEMBL ID CHEMBL60687
Phase Preclinical
Structure Type MOL
InChI Key PSZDOEIIIJFCFE-ZTTFDRHCSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

442.7
MW (Da)
7.14
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H50O2
MW 442.73
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness 3.33

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
10450948 10.1016/s0960-894x(99)00314-5 Homo sapiens 1
10450948 10.1016/s0960-894x(99)00314-5 SK-MEL 1
10450948 10.1016/s0960-894x(99)00314-5 Unchecked 1

Data from ChEMBL 36 via Core Engine