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Compound Detail

CHEMBL6004969

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Cc1cc(F)c(Nc2nc(N)c3c(-c4cccc5[nH]ncc45)nn(C(C)C)c3n2)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6004969
Phase Preclinical
Structure Type MOL
InChI Key OGDYSEKGYYOUFI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

434.4
MW (Da)
4.86
ALogP
7
HBA
3
HBD
110.3
PSA (Ų)
0.37
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20F2N8
MW 434.45
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.70

Activity Summary

IC50 1 meas. best 8.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein-tyrosine kinase 6
CHEMBL4601
 IC50 8.11 8.11 7.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein-tyrosine kinase 6 IC50 = 7.7 nM 8.11 Brk Inhibitory Activity Assay: Measurement of an inhibitory activity on Brk enzy... -

Data from ChEMBL 36 via Core Engine