Compound Detail
CHEMBL1817799
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Basic Information
| ChEMBL ID | CHEMBL1817799 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRMKEECLYANMQR-VOTSOKGWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
256.3
MW (Da)
3.58
ALogP
3
HBA
1
HBD
38.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NIH3T3 CHEMBL614822 | IC50 | 4.59 | 4.59 | 25800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NIH3T3 | IC50 | = | 25800.0 | nM | 4.59 | Cytotoxicity against mouse NIH/3T3 cells after 96 hrs by sulforhodamine-B colori... | 21803587 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21803587 | 10.1016/j.bmc.2011.07.015 | Brevibacillus brevis | 1 |
| 21803587 | 10.1016/j.bmc.2011.07.015 | Bacillus subtilis | 1 |
| 21803587 | 10.1016/j.bmc.2011.07.015 | Enterobacter cloacae subsp. dissolvens | 1 |
| 21803587 | 10.1016/j.bmc.2011.07.015 | Micrococcus luteus | 1 |
| 21803587 | 10.1016/j.bmc.2011.07.015 | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine