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Compound Detail

CHEMBL6020365

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CC1(c2cc(F)cc(Cl)c2)NC(=O)c2ccc(Nc3ccncn3)c(=O)n21

Basic Information

ChEMBL ID CHEMBL6020365
Phase Preclinical
Structure Type MOL
InChI Key DBLJVNGTXRPKMS-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

385.8
MW (Da)
2.64
ALogP
6
HBA
2
HBD
88.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13ClFN5O2
MW 385.79
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.16

Activity Summary

IC50 2 meas. best 7.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MAP kinase-interacting serine/threonine-protein kinase 2
CHEMBL4204
IC50 7.26 7.26 55.0 1
MAP kinase-interacting serine/threonine-protein kinase 1
CHEMBL4718
IC50 7.26 7.26 55.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine