Compound Detail
CHEMBL4756115
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C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)CCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(C)(C)S)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)C(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL4756115 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBVAHXXYLZOMTI-WWOYFABJSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
2063.4
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 6.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Golgi-associated PDZ and coiled-coil motif-containing protein CHEMBL1741218 | Kd | 6.95 | 6.95 | 113.0 | 1 |
| Na(+)/H(+) exchange regulatory cofactor NHE-RF1 CHEMBL4523125 | Kd | 5.79 | 5.79 | 1640.0 | 1 |
| Na(+)/H(+) exchange regulatory cofactor NHE-RF2 CHEMBL4739686 | Kd | 5.73 | 5.56 | 1870.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33314931 | 10.1021/acs.jmedchem.0c01528 | Na(+)/H(+) exchange regulatory cofactor NHE-RF2 | 2 |
| 33314931 | 10.1021/acs.jmedchem.0c01528 | Golgi-associated PDZ and coiled-coil motif-containing protein | 1 |
| 33314931 | 10.1021/acs.jmedchem.0c01528 | Na(+)/H(+) exchange regulatory cofactor NHE-RF1 | 1 |
Data from ChEMBL 36 via Core Engine