Compound Detail
CHEMBL2011869
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O=C1Nc2ccc(Cl)cc2C1(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
Basic Information
| ChEMBL ID | CHEMBL2011869 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWAVYAFMZLMNDS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
555.7
MW (Da)
7.11
ALogP
1
HBA
3
HBD
60.7
PSA (Ų)
0.21
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SK-N-SH CHEMBL614924 | IC50 | 5.98 | 5.98 | 1040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-N-SH | IC50 | = | 1040.0 | nM | 5.98 | Cytotoxicity against human SK-N-SH cells after 48 hrs by MTT assay | 22386528 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22386528 | 10.1016/j.bmcl.2012.02.011 | MDA-MB-231 | 1 |
| 22386528 | 10.1016/j.bmcl.2012.02.011 | SK-N-SH | 1 |
| 22386528 | 10.1016/j.bmcl.2012.02.011 | A549 | 1 |
| 22386528 | 10.1016/j.bmcl.2012.02.011 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine