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

CHEMBL2260224

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
Cc1cc(C)c2c(=O)c3ccccc3n(CCCCN3CCCCC3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2260224
Phase Preclinical
Structure Type MOL
InChI Key UJBZACHBQDYHGY-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

362.5
MW (Da)
5.04
ALogP
3
HBA
0
HBD
25.2
PSA (Ų)
0.47
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30N2O
MW 362.52
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.65

Activity Summary

IC50 2 meas. best 5.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HL-60
CHEMBL383
 IC50 5.85 5.85 1410.0 1
MCF7
CHEMBL387
 IC50 5.18 5.18 6670.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HL-60 IC50 = 1410.0 nM 5.85 Cytotoxicity against Homo sapiens (human) HL60 cells after 48 hr by trypan blue ... -
MCF7 IC50 = 6670.0 nM 5.18 Cytotoxicity against Homo sapiens (human) MCF7 cells after 48 hr by trypan blue ... -

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-009-9222-8 DNA 2
- 10.1007/s00044-009-9222-8 HL-60 1
- 10.1007/s00044-009-9222-8 MCF7 1

Data from ChEMBL 36 via Core Engine