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Compound Detail

CHEMBL3100036

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COC(=O)[C@]1(C)C=C2C3=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3100036
Phase Preclinical
Structure Type MOL
InChI Key PNXIHWXLABLWJD-YRVZTPSRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

482.7
MW (Da)
6.42
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.44
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 C31H46O4
MW 482.71
Aromatic Rings 0
Heavy Atoms 35
NP-Likeness 2.48

Literature References

PubMed DOI Target Context # Activities
24268542 10.1016/j.bmc.2013.10.049 J774 2
24268542 10.1016/j.bmc.2013.10.049 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine