Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4074757

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
C=CC(=O)NC1CCCN(c2cc(-c3cccc(NC(=O)c4ccc(N(C)C)cc4)c3C)cn(C)c2=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4074757
Phase Preclinical
Structure Type MOL
InChI Key JNUZWYLSQRGASW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

513.6
MW (Da)
3.95
ALogP
6
HBA
2
HBD
86.7
PSA (Ų)
0.47
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H35N5O3
MW 513.64
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -1.19

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