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Compound Detail

CHEMBL1483506

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Cc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1-c1ccc(Cl)cc1

Basic Information

ChEMBL ID CHEMBL1483506
Phase Preclinical
Structure Type MOL
InChI Key KYRNWYOEFCYHDC-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

483.0
MW (Da)
5.37
ALogP
5
HBA
1
HBD
68.4
PSA (Ų)
0.21
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H23ClN4O2
MW 482.97
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -1.71

Activity Summary

IC50 2 meas. best 5.45

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Runt-related transcription factor 1/Core-binding factor subunit beta
CHEMBL2093862
IC50 5.45 5.16 3575.7 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine