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Compound Detail

CHEMBL1431909

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COc1ccccc1C(=O)/N=C(\N)Nc1nc2ccccc2o1

Basic Information

ChEMBL ID CHEMBL1431909
Phase Preclinical
Structure Type MOL
InChI Key KVFQQUDPUDVEJP-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

310.3
MW (Da)
2.40
ALogP
4
HBA
2
HBD
102.7
PSA (Ų)
0.57
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 C16H14N4O3
MW 310.31
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.14

Activity Summary

IC50 2 meas. best 4.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
26S proteasome non-ATPase regulatory subunit 14
CHEMBL2007629
IC50 4.42 4.42 38300.0 1
Prothrombin
CHEMBL4471
IC50 4.21 4.21 60900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine