Compound Detail
CHEMBL403963
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Basic Information
| ChEMBL ID | CHEMBL403963 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHYGCMNTYAEAHI-VOTSOKGWSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
172.2
MW (Da)
1.37
ALogP
3
HBA
1
HBD
54.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
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 |
|---|---|---|---|---|---|
| Candida albicans CHEMBL366 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 3.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 3.0 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Candida albicans | IC50 | = | 10000.0 | nM | 5.0 | Effect on quorum sensing in Candida albicans assessed as inhibition of germ tube... | 18037299 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32292565 | 10.1021/acsmedchemlett.0c00030 | Candida albicans | 4 |
| 18037299 | 10.1016/j.bmc.2007.11.011 | Candida albicans | 2 |
| - | 10.6019/CHEMBL3301361 | ADMET | 2 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine