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Compound Detail

CHEMBL516988

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CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL516988
Phase Preclinical
Structure Type MOL
InChI Key FPJNRBDCZVCRQL-TZJDECCFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

428.8
MW (Da)
8.25
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.41
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H52O
MW 428.75
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness 2.88

Literature References

PubMed DOI Target Context # Activities
18707891 10.1016/j.bmc.2008.07.080 Tyrosine-protein phosphatase non-receptor type 1 1
18707891 10.1016/j.bmc.2008.07.080 Tyrosine-protein phosphatase non-receptor type 2 1

Data from ChEMBL 36 via Core Engine