Compound Detail
CHEMBL5180355
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Cc1ccc(C(=O)N(CCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)[C@@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1
Basic Information
| ChEMBL ID | CHEMBL5180355 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGHOAUIEGCGYIV-WBVITSLISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
906.5
MW (Da)
9.60
ALogP
10
HBA
4
HBD
155.2
PSA (Ų)
0.06
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Microtubule-associated proteins 1A/1B light chain 3B CHEMBL4879514 | Kd | 6.76 | 6.76 | 175.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Microtubule-associated proteins 1A/1B light chain 3B | Kd | = | 175.0 | nM | 6.76 | Binding affinity to human recombinant LC3B assessed as dissociation constant inc... | 35588495 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35588495 | 10.1021/acs.jmedchem.1c02001 | Microtubule-associated proteins 1A/1B light chain 3B | 1 |
| 35588495 | 10.1021/acs.jmedchem.1c02001 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine