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Compound Detail

CHEMBL5952013

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Cc1cc(Nc2ncnc3c2CN(C(=O)OC(C)(C)C)C3)c(=O)n2c1C(=O)NC21CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5952013
Phase Preclinical
Structure Type MOL
InChI Key IIFCGXQZWDWAPW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

452.5
MW (Da)
2.91
ALogP
8
HBA
2
HBD
118.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28N6O4
MW 452.52
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.76

Activity Summary

IC50 1 meas. best 8.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MAP kinase-interacting serine/threonine-protein kinase 1
CHEMBL4718
 IC50 8.33 8.33 4.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MAP kinase-interacting serine/threonine-protein kinase 1 IC50 = 4.7 nM 8.33 MKNK1 Kinase High ATP Assay: MKNK1-inhibitory activity at high ATP of compounds ... -

Data from ChEMBL 36 via Core Engine