Compound Detail
CHEMBL396090
DEHYDROARCHAZOLID Enter ChEMBL ID:
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CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C/C/C(C)=C/[C@@H](O)[C@@H](C)/C=C(C)\C=C(C)/C=C/C(=O)[C@H](C)[C@H](OC)/C(C)=C/C=C/[C@@H]2C)cs1
Basic Information
| ChEMBL ID | CHEMBL396090 |
| Name | DEHYDROARCHAZOLID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQCATDASGHZPCU-KVIPBCLUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
737.0
MW (Da)
9.27
ALogP
9
HBA
2
HBD
124.0
PSA (Ų)
0.22
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 13.0 | nM | 7.89 | Inhibition of tobacco hornworm midgut vacuolar ATPase V1/V0 holoenzyme | 17239591 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17239591 | 10.1016/j.bmcl.2006.12.073 | Unchecked | 1 |
| 17239591 | 10.1016/j.bmcl.2006.12.073 | L929 | 1 |
Data from ChEMBL 36 via Core Engine