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Compound Detail

CHEMBL390295

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CC1=CCC[C@]2(C)[C@@H]1CC[C@@]13C(=O)C4[C@H](C[C@H]12)[C@]4(C)C3=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL390295
Phase Preclinical
Structure Type MOL
InChI Key RGQNXWFSDCHUSM-MYVWUSRNSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

284.4
MW (Da)
3.55
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24O2
MW 284.40
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 3.59

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17547457 10.1021/np0603976 HeLa 1

Data from ChEMBL 36 via Core Engine