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Compound Detail

CHEMBL5398272

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O=C(O)CNC(=O)c1ncc(C2CCN(C(=O)c3ccccn3)CC2)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5398272
Phase Preclinical
Structure Type MOL
InChI Key DYACKYGZYTVXNP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
1.02
ALogP
6
HBA
3
HBD
132.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20N4O5
MW 384.39
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.00

Activity Summary

IC50 1 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
 IC50 6.8 6.8 158.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Egl nine homolog 1 IC50 = 158.0 nM 6.8 Binding affinity to full length PHD2 (181 to 426 residues) (unknown origin) by f... 37367818

Literature References

PubMed DOI Target Context # Activities
37367818 10.1021/acs.jmedchem.3c00231 Egl nine homolog 1 1

Data from ChEMBL 36 via Core Engine