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

CHEMBL3357693

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
Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(CCCC2CCN(C)CC2)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3357693
Phase Preclinical
Structure Type MOL
InChI Key IACHGHVEEMFILS-UHFFFAOYSA-N
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

473.5
MW (Da)
4.81
ALogP
5
HBA
1
HBD
67.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H30Cl2N4O2S
MW 473.47
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.32

Activity Summary

IC50 5 meas. best 9.0
EC50 2 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycylpeptide N-tetradecanoyltransferase
CHEMBL1949483
 IC50 9.0 9.0 1.0 1
Glycylpeptide N-tetradecanoyltransferase
CHEMBL3988596
 IC50 8.7 8.7 2.0 1
Unchecked
CHEMBL612545
 IC50 8.7 8.7 2.0 1
Trypanosoma brucei
CHEMBL612849
 EC50 8.7 8.7 2.0 1
Glycylpeptide N-tetradecanoyltransferase 1
CHEMBL2593
 IC50 7.48 7.0 33.0 2
MRC5
CHEMBL614181
 EC50 5.66 5.66 2200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycylpeptide N-tetradecanoyltransferase IC50 = 1.0 nM 9.0 Enzyme Inhibition Assay: Measurements were performed using a modification of the... -
Trypanosoma brucei EC50 = 2.0 nM 8.7 Antitrypanosomal activity against Trypanosoma brucei BSF427 expressing VSG118 in... 25412409
Unchecked IC50 = 2.0 nM 8.7 Inhibition of Trypanosoma brucei N-myristoyltransferase assessed as transfer of ... 25412409
Glycylpeptide N-tetradecanoyltransferase IC50 = 2.0 nM 8.7 Enzyme Inhibition Assay: Measurements were performed using a modification of the... -
Glycylpeptide N-tetradecanoyltransferase 1 IC50 = 33.0 nM 7.48 Inhibition of human N-myristoyltransferase 1 assessed as transfer of [3H]-myrist... 25412409
Glycylpeptide N-tetradecanoyltransferase 1 IC50 = 301.0 nM 6.52 Enzyme Inhibition Assay: Measurements were performed using a modification of the... -
MRC5 EC50 = 2200.0 nM 5.66 Antiproliferative activity against human MRC5 cells assessed as reduction cell v... 25412409

Literature References

PubMed DOI Target Context # Activities
25412409 10.1021/jm500809c Unchecked 2
25412409 10.1021/jm500809c Glycylpeptide N-tetradecanoyltransferase 1 1
25412409 10.1021/jm500809c Trypanosoma brucei 1
25412409 10.1021/jm500809c MRC5 1
25412409 10.1021/jm500809c Mus musculus 1

Data from ChEMBL 36 via Core Engine