Compound Detail
CHEMBL568305
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Basic Information
| ChEMBL ID | CHEMBL568305 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJOLTIOPWDLDEB-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
439.6
MW (Da)
5.99
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.29
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| SH-SY5Y CHEMBL614910 | IC50 | 8.52 | 8.4533 | 3.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SH-SY5Y | IC50 | = | 3.0 | nM | 8.52 | Cytotoxicity against human SH-SY5Y cells assessed as reduction of total cellular... | 19961183 |
| Nicotinamide phosphoribosyltransferase | IC50 | = | 3.0 | nM | 8.52 | Inhibition of nicotinamide phosphoribosyltransferase-mediated decrease in cellul... | 21080724 |
| SH-SY5Y | IC50 | = | 3.8 | nM | 8.42 | Cytotoxicity against human SH-SY5Y cells assessed as cell viability after 48 hrs... | 19961183 |
| SH-SY5Y | IC50 | = | 3.8 | nM | 8.42 | Cytotoxicity against human SH-SY5Y cells | 21080724 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19961183 | 10.1021/jm9010669 | SH-SY5Y | 8 |
| 19961183 | 10.1021/jm9010669 | NON-PROTEIN TARGET | 6 |
| 28165742 | 10.1021/acs.jmedchem.6b01392 | Liver | 4 |
| 19961183 | 10.1021/jm9010669 | NCI-H460 | 3 |
| 19961183 | 10.1021/jm9010669 | SW-620 | 3 |
| 19961183 | 10.1021/jm9010669 | KM12 | 3 |
| 19961183 | 10.1021/jm9010669 | HT-29 | 3 |
| 19961183 | 10.1021/jm9010669 | HCT-15 | 3 |
| 19961183 | 10.1021/jm9010669 | HCT-116 | 3 |
| 19961183 | 10.1021/jm9010669 | HCC 2998 | 3 |
| 19961183 | 10.1021/jm9010669 | COLO 205 | 3 |
| 19961183 | 10.1021/jm9010669 | NCI-H522 | 3 |
| 19961183 | 10.1021/jm9010669 | NCI-H322M | 3 |
| 19961183 | 10.1021/jm9010669 | NCI-H23 | 3 |
| 19961183 | 10.1021/jm9010669 | NCI-H226 | 3 |
| 19961183 | 10.1021/jm9010669 | HOP-92 | 3 |
| 19961183 | 10.1021/jm9010669 | HOP-62 | 3 |
| 19961183 | 10.1021/jm9010669 | EKVX | 3 |
| 19961183 | 10.1021/jm9010669 | A549 | 3 |
| 19961183 | 10.1021/jm9010669 | CCRF-CEM | 3 |
Data from ChEMBL 36 via Core Engine