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Compound Detail

CHEMBL6051183

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O=C(Nc1nc2cccc(-c3ccc(CN4CCC(F)(F)C4)cc3)n2n1)C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6051183
Phase Preclinical
Structure Type MOL
InChI Key XNLHLNNEYLSCNT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

397.4
MW (Da)
3.59
ALogP
5
HBA
1
HBD
62.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21F2N5O
MW 397.43
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.65

Activity Summary

IC50 1 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase JAK2
CHEMBL2971
 IC50 6.52 6.52 300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase JAK2 IC50 = 300.0 nM 6.52 JAK2 Inhibition Assay: Recombinant human JAK2 catalytic domain (amino acids 808-... -

Data from ChEMBL 36 via Core Engine