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Compound Detail

CHEMBL4125744

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O=C(OCc1ccccc1)C1=C(O)CC2(O)CCCC1C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4125744
Phase Preclinical
Structure Type MOL
InChI Key MIXHQCFSJLNLQR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

288.3
MW (Da)
2.87
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20O4
MW 288.34
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.30

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