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Compound Detail

CHEMBL1774883

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COc1ccc2c(-c3ccccc3)cc(C(=O)O)cc2c1

Basic Information

ChEMBL ID CHEMBL1774883
Phase Preclinical
Structure Type MOL
InChI Key SEFNGLMUROBBLU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

278.3
MW (Da)
4.21
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.78
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 C18H14O3
MW 278.31
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.02

Activity Summary

Ki 1 meas. best 5.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 5.4 5.4 4000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 4000.0 nM 5.4 Displacement of [3H]-UDP from chimpanzee P2Y14 receptor expressed in HEK293 cell... 21507640

Literature References

PubMed DOI Target Context # Activities
21507640 10.1016/j.bmcl.2011.03.081 Unchecked 1

Data from ChEMBL 36 via Core Engine