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

CHEMBL4640312

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
Cc1ccc2cccc(NCCCOc3cccc4[nH]c5ccccc5c34)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4640312
Phase Preclinical
Structure Type MOL
InChI Key LGDNAUZHHRDGQI-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

381.5
MW (Da)
6.06
ALogP
3
HBA
2
HBD
49.9
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23N3O
MW 381.48
Aromatic Rings 5
Heavy Atoms 29
NP-Likeness -0.74

Activity Summary

IC50 3 meas. best 4.79

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
SK-MEL-5
CHEMBL614922
 IC50 4.79 4.79 16380.0 1
SK-MEL-28
CHEMBL614919
 IC50 4.7 4.7 19840.0 1
A-375
CHEMBL613859
 IC50 4.65 4.65 22270.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
SK-MEL-5 IC50 = 16380.0 nM 4.79 Antiproliferative activity against human SK-MEL-5 cells assessed as cell growth ... 32216987
SK-MEL-28 IC50 = 19840.0 nM 4.7 Antiproliferative activity against human SK-MEL-28 cells assessed as cell growth... 32216987
A-375 IC50 = 22270.0 nM 4.65 Antiproliferative activity against human A375 cells assessed as cell growth inhi... 32216987

Literature References

PubMed DOI Target Context # Activities
32216987 10.1016/j.bmc.2020.115404 SK-MEL-5 1
32216987 10.1016/j.bmc.2020.115404 SK-MEL-28 1
32216987 10.1016/j.bmc.2020.115404 A-375 1

Data from ChEMBL 36 via Core Engine