Compound Detail
CHEMBL431550
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
Basic Information
| ChEMBL ID | CHEMBL431550 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZROKEZLWNZKNSJ-YVMONPNESA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
1.88
ALogP
4
HBA
2
HBD
49.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Arylamine N-acetyltransferase 1 CHEMBL5101 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Arylamine N-acetyltransferase 1 | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of human recombinant NAT1 assessed as hydrolysis of acetyl coA using ... | 19059786 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11012024 | 10.1016/s0960-894x(00)00444-3 | Beta-lactamase | 1 |
| 11012024 | 10.1016/s0960-894x(00)00444-3 | Beta-lactamase TEM | 1 |
| 19059786 | 10.1016/j.bmc.2008.11.032 | Arylamine N-acetyltransferase 1 | 1 |
| 19059786 | 10.1016/j.bmc.2008.11.032 | ADMET | 1 |
| 19059786 | 10.1016/j.bmc.2008.11.032 | Unchecked | 1 |
| 19059786 | 10.1016/j.bmc.2008.11.032 | Arylamine N-acetyltransferase | 1 |
| 20185317 | 10.1016/j.bmc.2010.02.001 | LL-diaminopimelate aminotransferase, chloroplastic | 1 |
| 21411319 | 10.1016/j.bmcl.2011.02.076 | Tyrosinase | 1 |
| 33588179 | 10.1016/j.ejmech.2021.113266 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine