Compound Detail
CHEMBL2177791
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Basic Information
| ChEMBL ID | CHEMBL2177791 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIZYBTAYMOFSCR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
480.5
MW (Da)
2.67
ALogP
9
HBA
1
HBD
99.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CWR22R CHEMBL612657 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CWR22R | IC50 | = | 2.0 | nM | 8.7 | Cytotoxicity against human 22Rv1 cells after 2 hrs by [3H]thymidine incorporatio... | 25822623 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25822623 | 10.1021/jm5018384 | Mus musculus | 3 |
| 25822623 | 10.1021/jm5018384 | CWR22R | 2 |
| 23215354 | 10.1021/jm300519w | DNA topoisomerase 1 | 1 |
| 23215354 | 10.1021/jm300519w | MCF7 | 1 |
| 23215354 | 10.1021/jm300519w | DU-145 | 1 |
| 23215354 | 10.1021/jm300519w | SN12C | 1 |
| 23215354 | 10.1021/jm300519w | OVCAR-3 | 1 |
| 23215354 | 10.1021/jm300519w | UACC-62 | 1 |
| 23215354 | 10.1021/jm300519w | SF-539 | 1 |
| 23215354 | 10.1021/jm300519w | HCT-116 | 1 |
| 23215354 | 10.1021/jm300519w | HOP-62 | 1 |
| 25811317 | 10.1021/acs.jmedchem.5b00136 | Tyrosyl-DNA phosphodiesterase 1 | 1 |
Data from ChEMBL 36 via Core Engine