Compound Detail
CHEMBL5087841
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Cc1ccc2nc(Nc3ccc4nc(NCCc5ccc(S(N)(=O)=O)cc5)sc4c3)nc(NCCCO)c2c1
Basic Information
| ChEMBL ID | CHEMBL5087841 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZNYHMHMAMHNCN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
563.7
MW (Da)
4.39
ALogP
10
HBA
5
HBD
155.2
PSA (Ų)
0.15
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| 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 | Induction of disruption of r(CCUG)12-MBNL1 complex (unknown origin) incubated fo... | 34101465 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34101465 | 10.1021/acs.jmedchem.1c00414 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine