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Compound Detail

CHEMBL5937701

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COc1cc2ncnc(Nc3cc(C)c4n(c3=O)C3(CCCCC3)NC4=O)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5937701
Phase Preclinical
Structure Type MOL
InChI Key VHNRIAXPJOWAIU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

435.5
MW (Da)
3.22
ALogP
8
HBA
2
HBD
107.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25N5O4
MW 435.48
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.48

Activity Summary

IC50 1 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MAP kinase-interacting serine/threonine-protein kinase 1
CHEMBL4718
 IC50 8.52 8.52 3.0 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 = 3.0 nM 8.52 MKNK1 Kinase High ATP Assay: MKNK1-inhibitory activity at high ATP of compounds ... -

Data from ChEMBL 36 via Core Engine