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

CHEMBL3220204

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
c1ccc(C(c2ccccc2)N2CCC(N3CCCC3)CC2)cc1

Basic Information

ChEMBL ID CHEMBL3220204
Phase Preclinical
Structure Type MOL
InChI Key PVVQAHIHFYTBOQ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

320.5
MW (Da)
4.34
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28N2
MW 320.48
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.89

Activity Summary

IC50 2 meas. best 5.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lethal(3)malignant brain tumor-like protein 3
CHEMBL1287623
IC50 5.62 5.62 2400.0 1
Lethal(3)malignant brain tumor-like protein 1
CHEMBL1287622
IC50 4.69 4.69 20300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C1MD00195G Lethal(3)malignant brain tumor-like protein 4 2
- 10.1039/C1MD00195G MBT domain-containing protein 1 2
- 10.1039/C1MD00195G Scm-like with four MBT domains protein 1 2
- 10.1039/C1MD00195G Chromobox protein homolog 7 2
- 10.1039/C1MD00195G Lethal(3)malignant brain tumor-like protein 3 1
- 10.1039/C1MD00195G Lethal(3)malignant brain tumor-like protein 1 1

Data from ChEMBL 36 via Core Engine