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Compound Detail

CHEMBL5808296

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CC(=O)Nc1ccc(OCC#Cc2cnc(C(=O)NCC(=O)O)c(O)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5808296
Phase Preclinical
Structure Type MOL
InChI Key DOZBMUZTGKYNOS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

383.4
MW (Da)
0.99
ALogP
6
HBA
4
HBD
137.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N3O6
MW 383.36
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.97

Activity Summary

IC50 1 meas. best 6.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
 IC50 6.51 6.51 311.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Egl nine homolog 1 IC50 = 311.0 nM 6.51 EGLN-1 Activity Assay : The EGLN-1 (or EGLN-3) enzyme activity is determined usi... -

Data from ChEMBL 36 via Core Engine