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Compound Detail

CHEMBL5956383

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O=C(O)CNC(=O)c1ncc(C#Cc2ccc(CO)cc2)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5956383
Phase Preclinical
Structure Type MOL
InChI Key OLMRIWBROHKOLL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

326.3
MW (Da)
0.49
ALogP
5
HBA
4
HBD
119.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14N2O5
MW 326.31
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.41

Activity Summary

IC50 1 meas. best 6.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
 IC50 6.25 6.25 564.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Egl nine homolog 1 IC50 = 564.0 nM 6.25 EGLN-1 Activity Assay : The EGLN-1 (or EGLN-3) enzyme activity is determined usi... -

Data from ChEMBL 36 via Core Engine