Compound Detail
CHEMBL359443
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Basic Information
| ChEMBL ID | CHEMBL359443 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMQXZARYZPKYBX-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
516.6
MW (Da)
4.09
ALogP
6
HBA
2
HBD
98.8
PSA (Ų)
0.47
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.58
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CH1 | IC50 | = | 260.0 | nM | 6.58 | In vitro cytotoxicity against CH1 ovarian cells using the sulforhodamine B(SRB) ... | 9822556 |
| A2780 | IC50 | = | 290.0 | nM | 6.54 | In vitro cytotoxicity against A2780 ovarian cells using the sulforhodamine B(SRB... | 9822556 |
| L1210 | IC50 | = | 600.0 | nM | 6.22 | Dose level for 50% inhibition of L1210 cell growth was measured after 24 h. | 3351863 |
| L1210 | IC50 | = | 600.0 | nM | 6.22 | Dose level for 50% inhibition of L1210 cell growth was measured after 48 hr. | 3351863 |
| SK-OV-3 | IC50 | = | 2400.0 | nM | 5.62 | In vitro cytotoxicity against SKOV-3 ovarian cells using the sulforhodamine B(SR... | 9822556 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3351863 | 10.1021/jm00399a028 | L1210 | 15 |
| 3351863 | 10.1021/jm00399a028 | CCRF S-180 | 11 |
| 9822556 | 10.1021/jm981067o | DNA polymerase I, thermostable | 3 |
| 9822556 | 10.1021/jm981067o | A2780 | 1 |
| 9822556 | 10.1021/jm981067o | CH1 | 1 |
| 9822556 | 10.1021/jm981067o | SK-OV-3 | 1 |
| 9822556 | 10.1021/jm981067o | Telomerase reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine