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Compound Detail

CHEMBL424315

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CC(=O)OC/C=C(\C)c1cc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)no1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL424315
Phase Preclinical
Structure Type MOL
InChI Key ZWWDJMDTQWIGAN-OQLLNIDSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

367.5
MW (Da)
5.66
ALogP
4
HBA
0
HBD
52.3
PSA (Ų)
0.65
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29NO3
MW 367.49
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.35

Activity Summary

IC50 1 meas. best 4.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HL-60
CHEMBL383
 IC50 4.26 4.26 55000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HL-60 IC50 = 55000.0 nM 4.26 Cytostatic activity against HL-60 cells 10585206

Literature References

PubMed DOI Target Context # Activities
10585206 10.1021/jm991059n HL-60 4

Data from ChEMBL 36 via Core Engine