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Compound Detail

CHEMBL487205

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C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC(=O)OC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL487205
Phase Preclinical
Structure Type MOL
InChI Key AOGIKVONTDMIGX-NQMVXACGSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

484.7
MW (Da)
6.41
ALogP
4
HBA
1
HBD
80.7
PSA (Ų)
0.28
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H44O5
MW 484.68
Aromatic Rings 0
Heavy Atoms 35
NP-Likeness 2.91

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
15270560 10.1021/np049938m CCRF-CEM 1

Data from ChEMBL 36 via Core Engine