Compound Detail
CHEMBL603607
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Basic Information
| ChEMBL ID | CHEMBL603607 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQACSXNOCXACAV-LZGMGDPASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
314.3
MW (Da)
-1.86
ALogP
11
HBA
4
HBD
152.4
PSA (Ų)
0.37
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEp-2 CHEMBL614735 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEp-2 | IC50 | = | 25000.0 | nM | 4.6 | Cytotoxicity against H.Ep cells | 6620307 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6620307 | 10.1021/jm00364a023 | HEp-2 | 1 |
Data from ChEMBL 36 via Core Engine