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Compound Detail

CHEMBL3358412

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Cc1c(-c2cc(Nc3ccc(N4CCN(C)CC4)cn3)c(=O)n(C)c2)cccc1N1C(=O)c2ccc(C(C)(C)C)cc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3358412
Phase Preclinical
Structure Type MOL
InChI Key XIIFRYLCYAYLIG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

590.7
MW (Da)
5.35
ALogP
8
HBA
1
HBD
90.8
PSA (Ų)
0.31
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H38N6O3
MW 590.73
Aromatic Rings 4
Heavy Atoms 44
NP-Likeness -1.22

Literature References

PubMed DOI Target Context # Activities
25515957 10.1016/j.bmc.2014.11.006 Tyrosine-protein kinase BTK 2

Data from ChEMBL 36 via Core Engine