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Compound Detail

CHEMBL3309630

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CC(C)=CCc1ccc2[nH]c3c(c2c1)C(=O)C(=O)C(C)=C3CC(C)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3309630
Phase Preclinical
Structure Type MOL
InChI Key GBIKJKJPENMVHL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
3.99
ALogP
3
HBA
2
HBD
70.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H23NO3
MW 337.42
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 1.51

Literature References

PubMed DOI Target Context # Activities
24928405 10.1016/j.bmcl.2014.05.050 No relevant target 3
24928405 10.1016/j.bmcl.2014.05.050 ADMET 1

Data from ChEMBL 36 via Core Engine