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Compound Detail

CHEMBL451972

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C=C1CC[C@H]2C(C)=CCC3=C(C)C(=O)O[C@@H]3[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL451972
Phase Preclinical
Structure Type MOL
InChI Key AUQBJGRMIQTFBR-UBHSHLNASA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

230.3
MW (Da)
3.16
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18O2
MW 230.31
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 3.16

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
9917276 10.1021/np980092u Unchecked 1
9917276 10.1021/np980092u A549 1

Data from ChEMBL 36 via Core Engine