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Compound Detail

CHEMBL5842964

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Cc1ccc(Oc2ccc(-c3nn([C@@H]4CCCN(C#N)C4)c(N)c3C(N)=O)cc2)cc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5842964
Phase Preclinical
Structure Type MOL
InChI Key OSWQBZURFCNQLT-GOSISDBHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

430.5
MW (Da)
3.76
ALogP
7
HBA
2
HBD
123.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N6O2
MW 430.51
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.93

Activity Summary

IC50 1 meas. best 9.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase BTK
CHEMBL5251
 IC50 9.4 9.4 0.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase BTK IC50 = 0.4 nM 9.4 LanthaScreen Assay: BTK: TR-FRET LanthaScreen assays were performed by incubatin... -

Data from ChEMBL 36 via Core Engine