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

CHEMBL1275705

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
CNCCCCOc1ccc(C)cc1OC

Basic Information

ChEMBL ID CHEMBL1275705
Phase Preclinical
Structure Type MOL
InChI Key LTGSNCRURKZBPD-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

223.3
MW (Da)
2.38
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H21NO2
MW 223.32
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.33

Activity Summary

IC50 2 meas. best 4.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lethal(3)malignant brain tumor-like protein 3
CHEMBL1287623
IC50 4.08 4.08 84000.0 1
Lethal(3)malignant brain tumor-like protein 4
CHEMBL1287624
IC50 4.04 4.04 92000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20931980 10.1021/jm1007374 Lethal(3)malignant brain tumor-like protein 1 2
20931980 10.1021/jm1007374 Lethal(3)malignant brain tumor-like protein 4 1
20931980 10.1021/jm1007374 Lethal(3)malignant brain tumor-like protein 3 1
20931980 10.1021/jm1007374 MBT domain-containing protein 1 1

Data from ChEMBL 36 via Core Engine