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Compound Detail

CHEMBL5883378

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Cn1nccc1Nc1nccc(-c2cc3n4c(nnc4c2)[C@@H](CCC(F)(F)F)CCO3)n1

Basic Information

ChEMBL ID CHEMBL5883378
Phase Preclinical
Structure Type MOL
InChI Key IZZPDFMHVSTMKH-LBPRGKRZSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

444.4
MW (Da)
3.87
ALogP
9
HBA
1
HBD
95.0
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 C20H19F3N8O
MW 444.42
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.33

Activity Summary

IC50 2 meas. best 10.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 1
CHEMBL4040
IC50 10.6 10.6 0.0 1
Mitogen-activated protein kinase 6
CHEMBL5121
IC50 10.6 10.6 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine