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

CHEMBL4453099

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
Oc1cccc2ccc(N3CCCCC3)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4453099
Phase Preclinical
Structure Type MOL
InChI Key MMMWXCLCXPKPSW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

228.3
MW (Da)
2.93
ALogP
3
HBA
1
HBD
36.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H16N2O
MW 228.29
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.18

Literature References

PubMed DOI Target Context # Activities
30529546 10.1016/j.ejmech.2018.11.018 Bromodomain-containing protein 4 2
34779640 10.1021/acs.jmedchem.1c01318 Mycobacterium tuberculosis 1

Data from ChEMBL 36 via Core Engine