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Compound Detail

CHEMBL3640646

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N#Cc1cn(-c2c[nH]n(-c3cc(N4CC(F)(F)C4)ncn3)c2=O)cn1

Basic Information

ChEMBL ID CHEMBL3640646
Phase Preclinical
Structure Type MOL
InChI Key LTYUTCNLXNNVGO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

344.3
MW (Da)
0.47
ALogP
8
HBA
1
HBD
108.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10F2N8O
MW 344.29
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.24

Activity Summary

IC50 1 meas. best 7.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transmembrane prolyl 4-hydroxylase
CHEMBL3047
IC50 7.05 7.05 90.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine