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Compound Detail

CHEMBL5932850

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CN1C(=O)N(Cc2ccc(Cl)cc2)c2nnc3cc(-c4ccnc(Nc5ccnn5C)n4)cc1n23

Basic Information

ChEMBL ID CHEMBL5932850
Phase Preclinical
Structure Type MOL
InChI Key QVKBVMSEJTWBJE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

486.9
MW (Da)
3.89
ALogP
9
HBA
1
HBD
109.4
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19ClN10O
MW 486.93
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -1.85

Activity Summary

IC50 1 meas. best 9.56

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 1
CHEMBL4040
IC50 9.56 9.56 0.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine