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Compound Detail

CHEMBL6032763

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CC(C)Cn1c(C(N)=O)c(Cl)cc(Nc2cc(N)ncn2)c1=O

Basic Information

ChEMBL ID CHEMBL6032763
Phase Preclinical
Structure Type MOL
InChI Key VKBPOTMIGNJXPK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

336.8
MW (Da)
1.37
ALogP
7
HBA
3
HBD
128.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H17ClN6O2
MW 336.78
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.02

Activity Summary

IC50 1 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

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine