Compound Detail
CHEMBL163926
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Basic Information
| ChEMBL ID | CHEMBL163926 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUGSYFVMCMFYPQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
206.3
MW (Da)
2.95
ALogP
1
HBA
2
HBD
41.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 4.21 | 4.21 | 62000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 62000.0 | nM | 4.21 | Dose required to inhibit cell growth was determined against L1210 cell line of m... | 11262080 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11262080 | 10.1021/jm0010264 | MDA-MB-231 | 1 |
| 11262080 | 10.1021/jm0010264 | K562 | 1 |
| 11262080 | 10.1021/jm0010264 | L1210 | 1 |
| 11262080 | 10.1021/jm0010264 | CHO | 1 |
| 11262080 | 10.1021/jm0010264 | HT-29 | 1 |
| 18023585 | 10.1016/j.bmc.2007.11.004 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine