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Compound Detail

CHEMBL5970910

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CN(CC#Cc1cnc(C(=O)NCC(=O)O)c(O)c1)c1ccc(-c2cnc[nH]2)cc1

Basic Information

ChEMBL ID CHEMBL5970910
Phase Preclinical
Structure Type MOL
InChI Key RYGSPGBJENXMLJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

405.4
MW (Da)
1.48
ALogP
6
HBA
4
HBD
131.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N5O4
MW 405.41
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.74

Activity Summary

IC50 1 meas. best 6.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
IC50 6.17 6.17 675.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Egl nine homolog 1 IC50 = 675.0 nM 6.17 EGLN-1 Activity Assay : The EGLN-1 (or EGLN-3) enzyme activity is determined usi... -

Data from ChEMBL 36 via Core Engine