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

CHEMBL4634927

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
CC(C)(C)CCN1CCN([C@H](CNCc2ccccc2)Cc2ccccc2)C[C@@H]1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4634927
Phase Preclinical
Structure Type MOL
InChI Key JPGCUDTZAZIDGB-ACHIHNKUSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

483.7
MW (Da)
6.05
ALogP
3
HBA
1
HBD
18.5
PSA (Ų)
0.36
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H45N3
MW 483.74
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.63

Activity Summary

EC50 2 meas. best 6.12
IC50 1 meas. best 4.93

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
CHO-K1
CHEMBL614031
 EC50 6.12 6.12 750.0 1
L3.6pl
CHEMBL4630703
 EC50 5.49 5.49 3270.0 1
L3.6pl
CHEMBL4630703
 IC50 4.93 4.93 11700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
CHO-K1 EC50 = 750.0 nM 6.12 Potentiation of 0.5 uM N-(anthracenylmethyl) homospermidine-induced toxicity in ... 32069402
L3.6pl EC50 = 3270.0 nM 5.49 Potentiation of 2 uM N-(anthracenylmethyl) homospermidine-induced toxicity in hu... 32069402
L3.6pl IC50 = 11700.0 nM 4.93 Cytotoxicity against human L3.6PL cells assessed as reduction in cell viability ... 32069402

Literature References

PubMed DOI Target Context # Activities
32069402 10.1021/acs.jmedchem.9b00568 CHO-K1 4
32069402 10.1021/acs.jmedchem.9b00568 L3.6pl 3
32069402 10.1021/acs.jmedchem.9b00568 Unchecked 2

Data from ChEMBL 36 via Core Engine