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Compound Detail

CHEMBL3960288

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Cc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3cc(F)cc(F)c3)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3960288
Phase Preclinical
Structure Type MOL
InChI Key AWHJVFRHVNXXDF-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

388.3
MW (Da)
3.13
ALogP
5
HBA
3
HBD
108.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14F2N2O5
MW 388.33
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.61

Activity Summary

IC50 2 meas. best 5.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
 IC50 5.66 5.66 2200.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Egl nine homolog 1 IC50 = 2200.0 nM 5.66 HIF-PH Assay: Ketoglutaric acid α-[1-14C]-sodium salt, alpha-ketoglutaric acid s... -
Egl nine homolog 1 IC50 = 2200.0 nM 5.66 HIF-PH Assay: Ketoglutaric acid α-[1-14C]-sodium salt, alpha-ketoglutaric acid s... -

Data from ChEMBL 36 via Core Engine