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Compound Detail

CHEMBL5898680

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O=C1NC2(CCN(CC(F)F)CC2)n2c1c(Cl)cc(Nc1ccncn1)c2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5898680
Phase Preclinical
Structure Type MOL
InChI Key JPAMTTMIRNDNGO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

410.8
MW (Da)
1.79
ALogP
7
HBA
2
HBD
92.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17ClF2N6O2
MW 410.81
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.34

Activity Summary

IC50 1 meas. best 7.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MAP kinase-interacting serine/threonine-protein kinase 2
CHEMBL4204
 IC50 7.26 7.26 55.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MAP kinase-interacting serine/threonine-protein kinase 2 IC50 = 55.0 nM 7.26 Mnk Biochemical Enzymatic Assay: Compounds are screened for Mnk inhibition using... -

Data from ChEMBL 36 via Core Engine