Compound Detail
CHEMBL1397507
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Cc1cc(O)c2c(c1)C(=O)C13C(=C2O)C(=O)[C@H]2[C@@H](O)[C@@H]1[C@H]1[C@H](O)[C@@H]3C(=O)C3=C(O)c4c(O)cc(C)cc4C(=O)C312
Basic Information
| ChEMBL ID | CHEMBL1397507 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFDPVUTXKUGISP-JUJIOVTCSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
542.5
MW (Da)
1.70
ALogP
10
HBA
6
HBD
189.7
PSA (Ų)
0.29
QED
2
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.29
EC50 1 meas. best 5.2
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5140.0 | nM | 5.29 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
| Unchecked | EC50 | = | 6360.0 | nM | 5.2 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
| Unchecked | IC50 | = | 7460.0 | nM | 5.13 | PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... | - |
| Unchecked | IC50 | = | 19055.0 | nM | 4.72 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
Data from ChEMBL 36 via Core Engine