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Compound Detail

CHEMBL3979374

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Cc1nc(C(=O)NCC(=O)O)c(O)c2c(Oc3ccccc3)cccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3979374
Phase Preclinical
Structure Type MOL
InChI Key NYILPNIUMFHXBD-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
2.86
ALogP
5
HBA
3
HBD
108.8
PSA (Ų)
0.65
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 C19H16N2O5
MW 352.35
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.32

Activity Summary

IC50 2 meas. best 5.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
 IC50 5.1 5.1 7900.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Egl nine homolog 1 IC50 = 7900.0 nM 5.1 HIF-PH Assay: Ketoglutaric acid α-[1-14C]-sodium salt, alpha-ketoglutaric acid s... -
Egl nine homolog 1 IC50 = 7900.0 nM 5.1 HIF-PH Assay: Ketoglutaric acid α-[1-14C]-sodium salt, alpha-ketoglutaric acid s... -

Data from ChEMBL 36 via Core Engine