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Compound Detail

CHEMBL5282462

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C=CC(=O)N1CCC([C@H]2CCNc3c(C(N)=O)c(-c4cc(OC)c(C)c(OC)c4)nn32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5282462
Phase Preclinical
Structure Type MOL
InChI Key ZFDGMDVYMNWICG-QGZVFWFLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

453.5
MW (Da)
2.76
ALogP
7
HBA
2
HBD
111.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H31N5O4
MW 453.54
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.38

Literature References

PubMed DOI Target Context # Activities
36912866 10.1021/acs.jmedchem.2c01938 Tyrosine-protein kinase BTK 1

Data from ChEMBL 36 via Core Engine