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Compound Detail

CHEMBL5955183

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COc1ccc2c(Nc3cc(C)c4n(c3=O)C3(CCCCC3)NC4=O)ncnc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5955183
Phase Preclinical
Structure Type MOL
InChI Key MEQNUBZEWIKJRL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

405.5
MW (Da)
3.21
ALogP
7
HBA
2
HBD
98.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N5O3
MW 405.46
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.67

Activity Summary

IC50 1 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MAP kinase-interacting serine/threonine-protein kinase 1
CHEMBL4718
 IC50 8.4 8.4 4.0 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 = 4.0 nM 8.4 MKNK1 Kinase High ATP Assay: MKNK1-inhibitory activity at high ATP of compounds ... -

Data from ChEMBL 36 via Core Engine