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

CHEMBL219539

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
CN(C)c1ccc(C(=O)NC(CCCCCC(=O)NO)C(=O)NCc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL219539
Phase Preclinical
Structure Type MOL
InChI Key QQZGICVGLPMNFI-UHFFFAOYSA-N
7
Targets
18
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

440.5
MW (Da)
2.62
ALogP
5
HBA
4
HBD
110.8
PSA (Ų)
0.23
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H32N4O4
MW 440.54
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.68

Activity Summary

IC50 18 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 8.0 6.7958 10.0 12
SK-MEL-28
CHEMBL614919
 IC50 7.22 7.22 60.0 1
HeLa
CHEMBL399
 IC50 7.05 7.05 90.0 1
A2058
CHEMBL613503
 IC50 7.0 7.0 100.0 1
DO4
CHEMBL614287
 IC50 6.92 6.92 120.0 1
MM96L
CHEMBL614170
 IC50 6.89 6.89 130.0 1
NFF
CHEMBL614198
 IC50 6.06 6.06 870.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 10.0 nM 8.0 Antiproliferative activity against human MM604 cells 17181145
NON-PROTEIN TARGET IC50 = 60.0 nM 7.22 Antiproliferative activity against human MM329 cells 17181145
SK-MEL-28 IC50 = 60.0 nM 7.22 Antiproliferative activity against human SK-Mel-28 cells 17181145
NON-PROTEIN TARGET IC50 = 60.0 nM 7.22 Antiproliferative activity against human D17 cells 17181145
NON-PROTEIN TARGET IC50 = 80.0 nM 7.1 Antiproliferative activity against human Mel FH cells 17181145
NON-PROTEIN TARGET IC50 = 90.0 nM 7.05 Antiproliferative activity against human MM470 cells 17181145
HeLa IC50 = 90.0 nM 7.05 Antiproliferative activity against human HeLa cells 17181145
A2058 IC50 = 100.0 nM 7.0 Antiproliferative activity against human A2058 cells 17181145
DO4 IC50 = 120.0 nM 6.92 Antiproliferative activity against human DO4 cells 17181145
MM96L IC50 = 130.0 nM 6.89 Antiproliferative activity against human MM96L cells 17181145
NON-PROTEIN TARGET IC50 = 180.0 nM 6.75 Antiproliferative activity against human AO7 RM cells 17181145
NON-PROTEIN TARGET IC50 = 260.0 nM 6.58 Antiproliferative activity against human D14 cells 17181145
NON-PROTEIN TARGET IC50 = 300.0 nM 6.52 Antiproliferative activity against human D11 cells 17181145
NON-PROTEIN TARGET IC50 = 300.0 nM 6.52 Antiproliferative activity against human AF6 cells 17181145
NON-PROTEIN TARGET IC50 = 450.0 nM 6.35 Antiproliferative activity against human LSP M2 cells 17181145
NON-PROTEIN TARGET IC50 = 600.0 nM 6.22 Antiproliferative activity against human MM229 cells 17181145
NFF IC50 = 870.0 nM 6.06 Antiproliferative activity against human NFF cells 17181145
NON-PROTEIN TARGET IC50 = 950.0 nM 6.02 Antiproliferative activity against human Mel RM cells 17181145

Literature References

PubMed DOI Target Context # Activities
17181145 10.1021/jm050214x NFF 17
17181145 10.1021/jm050214x NON-PROTEIN TARGET 12
17181145 10.1021/jm050214x MM96L 2
17181145 10.1021/jm050214x Unchecked 1
17181145 10.1021/jm050214x SK-MEL-28 1
17181145 10.1021/jm050214x DO4 1
17181145 10.1021/jm050214x A2058 1
17181145 10.1021/jm050214x HeLa 1

Data from ChEMBL 36 via Core Engine