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Compound Detail

CHEMBL1075819

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CC(=O)OC1OC(C2OC2(C)C)C[C@@H]1[C@H]1CC=C2C3(C)C(O)CC4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1075819
Phase Preclinical
Structure Type MOL
InChI Key JJYFVZGESRUJQK-LHTSAIKLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

528.7
MW (Da)
5.60
ALogP
6
HBA
1
HBD
85.4
PSA (Ų)
0.29
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C32H48O6
MW 528.73
Aromatic Rings 0
Heavy Atoms 38
NP-Likeness 3.50

Literature References

PubMed DOI Target Context # Activities
19908853 10.1021/np900640u NON-PROTEIN TARGET 2
19908853 10.1021/np900640u SW-620 1
19908853 10.1021/np900640u BT-474 1
19908853 10.1021/np900640u HepG2 1

Data from ChEMBL 36 via Core Engine