Compound Detail
CHEMBL518631
RAWSONOL Enter ChEMBL ID:
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COCc1cc(Br)c(O)c(O)c1Cc1cc(Br)c(O)c(Cc2cc(Br)c(O)c(O)c2Cc2ccc(O)c(Br)c2)c1
Basic Information
| ChEMBL ID | CHEMBL518631 |
| Name | RAWSONOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCFBHVMAGOSSRA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
804.1
MW (Da)
7.89
ALogP
7
HBA
6
HBD
130.6
PSA (Ų)
0.10
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of human recombinant IMPDH assessed as NADH formation by spectrophoto... | 7964790 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7964790 | 10.1021/np50109a011 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine