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Compound Detail

CHEMBL1971556

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Fc1ccc(Nc2ncnc(Nc3ccc4[nH]ncc4c3)n2)cc1

Basic Information

ChEMBL ID CHEMBL1971556
Phase Preclinical
Structure Type MOL
InChI Key NRGOEUKPNMBABW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

321.3
MW (Da)
3.37
ALogP
6
HBA
3
HBD
91.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12FN7
MW 321.32
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.74

Activity Summary

Ki 1 meas. best 6.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division cycle 7-related protein kinase
CHEMBL5443
Ki 6.9 6.9 125.9 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine