Compound Detail
CHEMBL5171746
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CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2-c1cccnc1)OCO3
Basic Information
| ChEMBL ID | CHEMBL5171746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAFARKWKBRQIHY-SANMLTNESA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
469.4
MW (Da)
2.87
ALogP
9
HBA
1
HBD
112.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.77
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SW-620 | IC50 | = | 0.17 | nM | 9.77 | Antiproliferative activity against human SW-620 cells assessed as inhibition of ... | 35932565 |
| SW-620 | IC50 | = | 0.17 | nM | 9.77 | Cytotoxicity against human SW620 cells assessed as inhibition of cell growth inc... | 38092421 |
| 2008 | IC50 | = | 11.64 | nM | 7.93 | Antiproliferative activity against human 2008 cells assessed as inhibition of ce... | 35932565 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35932565 | 10.1016/j.ejmech.2022.114610 | 2008 | 1 |
| 35932565 | 10.1016/j.ejmech.2022.114610 | SW-620 | 1 |
| 38092421 | 10.1021/acs.jmedchem.3c01130 | SW-620 | 1 |
Data from ChEMBL 36 via Core Engine