Compound Detail
CHEMBL91008
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Basic Information
| ChEMBL ID | CHEMBL91008 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNGWZLRNJXMMNK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
304.4
MW (Da)
3.63
ALogP
4
HBA
1
HBD
54.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 5.03 | 5.03 | 9280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 9280.0 | nM | 5.03 | Concentration required for 50% inhibition of growth in mammary gland breast aden... | 12217364 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12217364 | 10.1016/s0960-894x(02)00532-2 | MES-SA | 2 |
| 12217364 | 10.1016/s0960-894x(02)00532-2 | A549 | 1 |
| 12217364 | 10.1016/s0960-894x(02)00532-2 | HepG2 | 1 |
| 12217364 | 10.1016/s0960-894x(02)00532-2 | MCF7 | 1 |
| 12217364 | 10.1016/s0960-894x(02)00532-2 | MKN-45 | 1 |
| 12217364 | 10.1016/s0960-894x(02)00532-2 | SW480 | 1 |
| 12217364 | 10.1016/s0960-894x(02)00532-2 | NPC-TW-039 | 1 |
| 12217364 | 10.1016/s0960-894x(02)00532-2 | Detroit 551 | 1 |
| 12217364 | 10.1016/s0960-894x(02)00532-2 | WI-38 | 1 |
Data from ChEMBL 36 via Core Engine