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Compound Detail

CHEMBL5927942

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Cc1cccc(Cc2ccc(-c3nn([C@@H]4CCCN(C#N)C4)c(N)c3C(N)=O)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5927942
Phase Preclinical
Structure Type MOL
InChI Key ANHVQBCLISLLGS-HXUWFJFHSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

414.5
MW (Da)
3.25
ALogP
6
HBA
2
HBD
114.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N6O
MW 414.51
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.87

Activity Summary

IC50 2 meas. best 9.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase BTK
CHEMBL5251
 IC50 9.22 9.22 0.6 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase BTK IC50 = 0.6 nM 9.22 Human BTK LanthaScreen Assay: TR-FRET LanthaScreen assays were performed by incu... -
Tyrosine-protein kinase BTK IC50 = 0.6 nM 9.22 LanthaScreen Assay: BTK: TR-FRET LanthaScreen assays were performed by incubatin... -

Data from ChEMBL 36 via Core Engine