Compound Detail
CHEMBL327096
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL327096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATXBBSDCCRGIDB-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
2.27
ALogP
8
HBA
3
HBD
123.9
PSA (Ų)
0.26
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A2780 CHEMBL614004 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
| CH1 CHEMBL614455 | IC50 | 6.76 | 6.76 | 175.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| L1210 CHEMBL386 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
| G-361 CHEMBL614036 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780 | IC50 | = | 42.0 | nM | 7.38 | Cytotoxic potency required to inhibit A2780 cell growth by 50% after cell drug c... | 9371240 |
| CH1 | IC50 | = | 175.0 | nM | 6.76 | Cytotoxic potency required to inhibit CH1 cell growth by 50% | 9371240 |
| HT-29 | IC50 | = | 190.0 | nM | 6.72 | Cytotoxic potency required to inhibit HT-29 cell growth by 50% after cell drug c... | 9371240 |
| Homo sapiens | IC50 | = | 190.0 | nM | 6.72 | In vitro cytotoxic activity against human colon adenocarcinoma (HT-29). | 12825949 |
| SK-OV-3 | IC50 | = | 210.0 | nM | 6.68 | Cytotoxic potency required to inhibit SKOV-3 cell growth 50% | 9371240 |
| L1210 | IC50 | = | 460.0 | nM | 6.34 | Cytotoxic potency required to inhibit L1210 cell growth by 50% after cell drug c... | 9371240 |
| G-361 | IC50 | = | 1800.0 | nM | 5.75 | 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 |
| 12825949 | 10.1021/jm030820x | ADMET | 1 |
| 12825949 | 10.1021/jm030820x | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine