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Compound Detail

CHEMBL477255

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CC(C)(C)c1ccc(/C=C2\CCC/C(=C\c3ccc(C(C)(C)C)cc3)C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL477255
Phase Preclinical
Structure Type MOL
InChI Key YMZSPONKQSNRRU-DPIBHUQISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

386.6
MW (Da)
7.50
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.49
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H34O
MW 386.58
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.39

Activity Summary

IC50 1 meas. best 4.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HL-60
CHEMBL383
 IC50 4.1 4.1 78900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HL-60 IC50 = 78900.0 nM 4.1 Cytotoxicity against human HL60 cells after 72 hrs by MTT assay 19243951

Literature References

PubMed DOI Target Context # Activities
19243951 10.1016/j.bmc.2008.10.044 HL-60 1
19243951 10.1016/j.bmc.2008.10.044 No relevant target 1

Data from ChEMBL 36 via Core Engine