Compound Detail
CHEMBL3980411
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
CCN(c1c(C)nn(C)c1C)S(=O)(=O)c1c(Cl)cc(-c2ccnc(N3CCNCC3)c2)cc1Cl
Basic Information
| ChEMBL ID | CHEMBL3980411 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJBFCFNKTFJGHD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
523.5
MW (Da)
4.03
ALogP
7
HBA
1
HBD
83.4
PSA (Ų)
0.53
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycylpeptide N-tetradecanoyltransferase CHEMBL3988596 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Glycylpeptide N-tetradecanoyltransferase 1 CHEMBL2593 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 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 | = | 3.0 | nM | 8.52 | Enzyme Inhibition Assay: Measurements were performed using a modification of the... | - |
Data from ChEMBL 36 via Core Engine