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Compound Detail

CHEMBL6011847

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CC(C)C[C@H]1NC(=O)N(C)c2cc(-c3ccnc(Nc4ccnn4C)c3)cc3nnc1n23

Basic Information

ChEMBL ID CHEMBL6011847
Phase Preclinical
Structure Type MOL
InChI Key LOMTXLBEKSPFIS-MRXNPFEDSA-N
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

431.5
MW (Da)
3.52
ALogP
8
HBA
2
HBD
105.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25N9O
MW 431.50
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.08

Activity Summary

IC50 5 meas. best 8.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 1
CHEMBL4040
IC50 8.37 8.37 4.3 4
Mitogen-activated protein kinase 6
CHEMBL5121
IC50 8.37 8.37 4.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine