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Compound Detail

CHEMBL5873570

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CN(C)CCNCc1cc(F)cc(-c2ccc3ncnc(N)c3n2)c1

Basic Information

ChEMBL ID CHEMBL5873570
Phase Preclinical
Structure Type MOL
InChI Key PLPWLUBYLJLRHA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
2.06
ALogP
6
HBA
2
HBD
80.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21FN6
MW 340.41
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.50

Activity Summary

IC50 1 meas. best 7.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
IC50 7.02 7.02 95.5 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine