Compound Detail
CHEMBL125180
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Basic Information
| ChEMBL ID | CHEMBL125180 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHVFLLLKKXVTAT-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
451.6
MW (Da)
3.92
ALogP
6
HBA
3
HBD
80.7
PSA (Ų)
0.36
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A2780 CHEMBL614004 | IC50 | 6.12 | 6.12 | 760.0 | 1 |
| CH1 CHEMBL614455 | IC50 | 5.9 | 5.9 | 1250.0 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| L1210 CHEMBL386 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
| G-361 CHEMBL614036 | IC50 | 5.21 | 5.21 | 6200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780 | IC50 | = | 760.0 | nM | 6.12 | Cytotoxic potency required to inhibit A2780 cell growth by 50% after cell drug c... | 9371240 |
| CH1 | IC50 | = | 1250.0 | nM | 5.9 | Cytotoxic potency required to inhibit CH1 cell growth by 50% | 9371240 |
| SK-OV-3 | IC50 | = | 2400.0 | nM | 5.62 | Cytotoxic potency required to inhibit SKOV-3 cell growth 50% | 9371240 |
| L1210 | IC50 | = | 3300.0 | nM | 5.48 | Cytotoxic potency required to inhibit L1210 cell growth by 50% after cell drug c... | 9371240 |
| HT-29 | IC50 | = | 5700.0 | nM | 5.24 | Cytotoxic potency required to inhibit HT-29 cell growth by 50% after cell drug c... | 9371240 |
| G-361 | IC50 | = | 6200.0 | nM | 5.21 | Cytotoxic potency required to inhibit G-361 cell growth by 50% | 9371240 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9371240 | 10.1021/jm970114u | Calf thymus DNA | 3 |
| 9371240 | 10.1021/jm970114u | Nucleic Acid | 2 |
| 9371240 | 10.1021/jm970114u | No relevant target | 1 |
| 9371240 | 10.1021/jm970114u | L1210 | 1 |
| 9371240 | 10.1021/jm970114u | A2780 | 1 |
| 9371240 | 10.1021/jm970114u | CH1 | 1 |
| 9371240 | 10.1021/jm970114u | G-361 | 1 |
| 9371240 | 10.1021/jm970114u | SK-OV-3 | 1 |
| 9371240 | 10.1021/jm970114u | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine