Compound Detail
CHEMBL141690
ISOBERGAPTENE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL141690 |
| Name | ISOBERGAPTENE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJSPSRWWZBBIOR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
216.2
MW (Da)
2.55
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A-431 CHEMBL614069 | IC50 | 5.11 | 5.11 | 7720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A-431 | IC50 | = | 7720.0 | nM | 5.11 | Compound was evaluated for cell growth inhibition against A 431 cell line by irr... | 8893844 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 8893844 | 10.1021/jm960117r | HL-60 | 1 |
| 8893844 | 10.1021/jm960117r | HeLa | 1 |
| 8893844 | 10.1021/jm960117r | A-431 | 1 |
| 8893844 | 10.1021/jm960117r | Cavia porcellus | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
Data from ChEMBL 36 via Core Engine