Compound Detail
CHEMBL353368
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Basic Information
| ChEMBL ID | CHEMBL353368 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKXTXFWJUDLXKG-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
299.2
MW (Da)
2.78
ALogP
6
HBA
2
HBD
113.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.64
EC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| SGC-7901 CHEMBL614909 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.92 | 4.92 | 12000.0 | 1 |
| H9 CHEMBL614806 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 2300.0 | nM | 5.64 | In vitro inhibitory concentration required against human colorectal adenocarcino... | 12617913 |
| SGC-7901 | IC50 | = | 2800.0 | nM | 5.55 | In vitro inhibitory concentration required against human gastric adenocarcinoma ... | 12617913 |
| Human immunodeficiency virus 1 | EC50 | = | 12000.0 | nM | 4.92 | Antiviral activity against HIV1 3B infected in human H9 cells assessed as inhibi... | 8158164 |
| H9 | IC50 | = | 12000.0 | nM | 4.92 | Cytotoxicity against human H9 cells after 3 days | 8158164 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12617913 | 10.1016/s0960-894x(02)01081-8 | SGC-7901 | 1 |
| 12617913 | 10.1016/s0960-894x(02)01081-8 | HT-29 | 1 |
| 8158164 | 10.1021/np50103a006 | H9 | 1 |
| 8158164 | 10.1021/np50103a006 | Human immunodeficiency virus 1 | 1 |
| 8158164 | 10.1021/np50103a006 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine