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

CHEMBL536297

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
Cl.NCCCCNCCCCNCC1CCCc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL536297
Phase Preclinical
Structure Type MOL
InChI Key VZSAVTFODUKZCZ-UHFFFAOYSA-N
Parent Compound CHEMBL1188407
Active Moiety CHEMBL1188407
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

303.5
MW (Da)
2.80
ALogP
3
HBA
3
HBD
50.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H34ClN3
MW 339.96
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.08

Activity Summary

IC50 2 meas. best 5.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
B16
CHEMBL381
 IC50 5.16 5.16 6960.0 1
L1210
CHEMBL386
 IC50 4.83 4.83 14770.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
B16 IC50 = 6960.0 nM 5.16 Cytotoxicity against mouse B16 cells by MTT assay 17574415
L1210 IC50 = 14770.0 nM 4.83 Cytotoxicity against mouse L1210 cells by MTT assay 17574415

Literature References

PubMed DOI Target Context # Activities
17574415 10.1016/j.bmcl.2007.06.009 L1210 2
17574415 10.1016/j.bmcl.2007.06.009 B16 2

Data from ChEMBL 36 via Core Engine