Compound Detail
CHEMBL459120
(+)-DISCORHABDIN B Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL459120 |
| Name | (+)-DISCORHABDIN B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVKKMXJIWIOCJC-VOJFVSQTSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
414.3
MW (Da)
2.61
ALogP
5
HBA
2
HBD
74.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.75 | 5.4733 | 1800.0 | 3 |
| Hypoxia-inducible factor 1-alpha CHEMBL4261 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
| K562 CHEMBL385 | IC50 | 5.14 | 5.14 | 7200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 1800.0 | nM | 5.75 | Cytotoxicity against human COLO205 cells measured after 48 hrs under hypoxic con... | 27140429 |
| NON-PROTEIN TARGET | IC50 | = | 3100.0 | nM | 5.51 | Cytotoxicity against human HCT116 cells measured after 18 hrs under hypoxic cond... | 27140429 |
| Hypoxia-inducible factor 1-alpha | IC50 | = | 3700.0 | nM | 5.43 | Displacement of GST-tagged p300-CH1 domain (323 to 423 residues) from synthetic ... | 27140429 |
| NON-PROTEIN TARGET | IC50 | = | 7000.0 | nM | 5.16 | Cytotoxicity against human LNCAP cells measured after 18 hrs under hypoxic condi... | 27140429 |
| K562 | IC50 | = | 7200.0 | nM | 5.14 | Cytotoxicity against human K562 cells assessed as viable cells after 72 hrs by M... | 20055495 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27140429 | 10.1021/acs.jnatprod.5b00846 | Hypoxia-inducible factor 1-alpha | 6 |
| 27140429 | 10.1021/acs.jnatprod.5b00846 | NON-PROTEIN TARGET | 3 |
| 16439119 | 10.1016/j.bmcl.2005.12.081 | P388 | 1 |
| 16439119 | 10.1016/j.bmcl.2005.12.081 | Escherichia coli | 1 |
| 16439119 | 10.1016/j.bmcl.2005.12.081 | Bacillus subtilis | 1 |
| 20055495 | 10.1021/np9005629 | Sortase A | 1 |
| 20055495 | 10.1021/np9005629 | K562 | 1 |
| 20055495 | 10.1021/np9005629 | Salmonella enterica | 1 |
| 20055495 | 10.1021/np9005629 | Proteus vulgaris | 1 |
| 20055495 | 10.1021/np9005629 | Escherichia coli | 1 |
| 20055495 | 10.1021/np9005629 | Staphylococcus aureus | 1 |
| 20055495 | 10.1021/np9005629 | Micrococcus luteus | 1 |
| 20055495 | 10.1021/np9005629 | Bacillus subtilis | 1 |
Data from ChEMBL 36 via Core Engine