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Compound Detail

CHEMBL4577875

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CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC=C4[C@@H]5C[C@](C)(CO)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4577875
Phase Preclinical
Structure Type MOL
InChI Key CZWBKSDPBWNHGO-SXAPNVPWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

472.7
MW (Da)
6.21
ALogP
3
HBA
3
HBD
77.8
PSA (Ų)
0.42
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H48O4
MW 472.71
Aromatic Rings 0
Heavy Atoms 34
NP-Likeness 3.32

Literature References

PubMed DOI Target Context # Activities
31301930 10.1016/j.bmcl.2019.07.010 RAW264.7 1

Data from ChEMBL 36 via Core Engine