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Compound Detail

CHEMBL6044516

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Nc1ncnc2ccc(NCCc3ccc(F)cc3)nc12

Basic Information

ChEMBL ID CHEMBL6044516
Phase Preclinical
Structure Type MOL
InChI Key MAUQWFRCYUDOSP-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

283.3
MW (Da)
2.40
ALogP
5
HBA
2
HBD
76.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14FN5
MW 283.31
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.27

Activity Summary

IC50 2 meas. best 7.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
IC50 7.15 7.15 70.1 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine