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Compound Detail

CHEMBL1447733

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Fc1cccc(Nc2cc(-n3cccn3)ncn2)c1

Basic Information

ChEMBL ID CHEMBL1447733
Phase Preclinical
Structure Type MOL
InChI Key BIKLNZVXIPYGJC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

255.3
MW (Da)
2.55
ALogP
5
HBA
1
HBD
55.6
PSA (Ų)
0.78
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 C13H10FN5
MW 255.26
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -2.90

Activity Summary

IC50 1 meas. best 5.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 10
CHEMBL2637
IC50 5.16 5.16 6935.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine