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Compound Detail

CHEMBL467749

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CC(/C=C/C1=CCCCC1(C)C)=C\C=C\C(C)=C\COC(=O)c1cc(O)c2ccccc2c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL467749
Phase Preclinical
Structure Type MOL
InChI Key UPKCBIJEYIWEDX-RTCGSOPGSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

458.6
MW (Da)
7.55
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.26
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H34O4
MW 458.60
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness 1.48

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19036585 10.1016/j.bmcl.2008.11.028 NON-PROTEIN TARGET 1
19036585 10.1016/j.bmcl.2008.11.028 Fibroblast 1
19036585 10.1016/j.bmcl.2008.11.028 ADMET 1

Data from ChEMBL 36 via Core Engine