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Compound Detail

CHEMBL5956144

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Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCCCC1O

Basic Information

ChEMBL ID CHEMBL5956144
Phase Preclinical
Structure Type MOL
InChI Key LKVHJCZVOXGHLL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
0.60
ALogP
8
HBA
4
HBD
135.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N6O3
MW 356.39
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.16

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