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Compound Detail

CHEMBL4103968

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C=CC(=O)Nc1cccc(Nc2cc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3C)cn(C)c2=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4103968
Phase Preclinical
Structure Type MOL
InChI Key DNAAWUZZJSZLRN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

534.7
MW (Da)
6.78
ALogP
5
HBA
3
HBD
92.2
PSA (Ų)
0.23
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H34N4O3
MW 534.66
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -1.10

Literature References

PubMed DOI Target Context # Activities
28315597 10.1016/j.ejmech.2017.03.001 Tyrosine-protein kinase BTK 1

Data from ChEMBL 36 via Core Engine