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Compound Detail

CHEMBL3640643

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O=C(O)C1CN(c2cc(-n3[nH]cc(-n4ccnc4)c3=O)ncn2)C1

Basic Information

ChEMBL ID CHEMBL3640643
Phase Preclinical
Structure Type MOL
InChI Key DFADBYAZNRSFSX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

327.3
MW (Da)
-0.34
ALogP
8
HBA
2
HBD
121.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13N7O3
MW 327.30
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.55

Activity Summary

IC50 1 meas. best 6.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transmembrane prolyl 4-hydroxylase
CHEMBL3047
IC50 6.27 6.27 540.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine