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Compound Detail

CHEMBL5971800

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CNCCNCc1cc(-c2ccc(NC(C)=O)cc2)nc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5971800
Phase Preclinical
Structure Type MOL
InChI Key UARNMSCRKJYTNG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
3.17
ALogP
4
HBA
3
HBD
66.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24N4O
MW 348.45
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.93

Activity Summary

Kd 1 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MAPK/MAK/MRK overlapping kinase
CHEMBL4295983
 Kd 7.96 7.96 11.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MAPK/MAK/MRK overlapping kinase Kd = 11.0 nM 7.96 Fluorescence Binding Assay: Table 4: Native tryptophan fluorescence experiments ... -

Data from ChEMBL 36 via Core Engine