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Compound Detail

CHEMBL3642644

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N#Cc1cn(-c2c[nH]n(-c3cc(N4CCCOCC4)ncn3)c2=O)nn1

Basic Information

ChEMBL ID CHEMBL3642644
Phase Preclinical
Structure Type MOL
InChI Key SZLSFIQMZZXOJE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

353.4
MW (Da)
-0.37
ALogP
10
HBA
1
HBD
130.5
PSA (Ų)
0.67
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 C15H15N9O2
MW 353.35
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.94

Activity Summary

IC50 1 meas. best 6.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transmembrane prolyl 4-hydroxylase
CHEMBL3047
IC50 6.42 6.42 380.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine