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

CHEMBL3134142

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
N#CC1CCN(CCc2ccc(N3CCC(N4CCCC4)CC3)cc2)C1

Basic Information

ChEMBL ID CHEMBL3134142
Phase Preclinical
Structure Type MOL
InChI Key LKEALVSMXXPYRO-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

352.5
MW (Da)
3.14
ALogP
4
HBA
0
HBD
33.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H32N4
MW 352.53
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -1.30

Activity Summary

IC50 2 meas. best 6.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lethal(3)malignant brain tumor-like protein 3
CHEMBL1287623
IC50 6.44 6.44 360.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24466405 10.1039/c3md00197k PHD finger protein 23 1
24466405 10.1039/c3md00197k Lysine-specific demethylase 5A 1
24466405 10.1039/c3md00197k E3 ubiquitin-protein ligase UHRF1 1
24466405 10.1039/c3md00197k Chromobox protein homolog 7 1
24466405 10.1039/c3md00197k TP53-binding protein 1 1
24466405 10.1039/c3md00197k MBT domain-containing protein 1 1
24466405 10.1039/c3md00197k Lethal(3)malignant brain tumor-like protein 1 1
24466405 10.1039/c3md00197k Lethal(3)malignant brain tumor-like protein 3 1

Data from ChEMBL 36 via Core Engine