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Compound Detail

CHEMBL4128348

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CC(C)CCOC(=O)C1=C(OC(=O)CC(C)C)CC2(OC(=O)CC(C)C)CCCC1C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4128348
Phase Preclinical
Structure Type MOL
InChI Key OOWKWSWCMLAEKD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

436.6
MW (Da)
5.34
ALogP
6
HBA
0
HBD
78.9
PSA (Ų)
0.34
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H40O6
MW 436.59
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness 0.49

Activity Summary

IC50 1 meas. best 5.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HIF1A/p300/CREB-binding protein
CHEMBL4296108
 IC50 5.2 5.2 6300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HIF1A/p300/CREB-binding protein IC50 = 6300.0 nM 5.2 Inhibition of HIF-1alpha/p300/CBP (unknown origin) transcriptional activity expr... 29748146

Literature References

PubMed DOI Target Context # Activities
29748146 10.1016/j.bmc.2018.05.002 HIF1A/p300/CREB-binding protein 1
29748146 10.1016/j.bmc.2018.05.002 HeLa 1

Data from ChEMBL 36 via Core Engine