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Compound Detail

CHEMBL6036956

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CCC(C#N)C1CCOc2cc(-c3ccnc(Nc4ccnn4C)n3)cc3nnc1n23

Basic Information

ChEMBL ID CHEMBL6036956
Phase Preclinical
Structure Type MOL
InChI Key CYZNMCWEXWUOBS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

415.5
MW (Da)
3.08
ALogP
10
HBA
1
HBD
118.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21N9O
MW 415.46
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.27

Activity Summary

IC50 1 meas. best 10.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 1
CHEMBL4040
IC50 10.09 10.09 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine