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Compound Detail

CHEMBL1331901

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O=c1[nH]c(=O)c2nc(-c3ccc(Cl)cc3)cnc2[nH]1

Basic Information

ChEMBL ID CHEMBL1331901
Phase Preclinical
Structure Type MOL
InChI Key QVWBTEKCOOHUOG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

274.7
MW (Da)
1.33
ALogP
4
HBA
2
HBD
91.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H7ClN4O2
MW 274.67
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.17

Activity Summary

IC50 1 meas. best 6.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Runt-related transcription factor 1/Core-binding factor subunit beta
CHEMBL2093862
IC50 6.19 6.19 643.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine