Compound Detail
CHEMBL4789294
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C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1csc2ccccc12)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)COCCOCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)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 | CHEMBL4789294 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYGGNPIDYSEJHB-BYEIRUMPSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
2123.6
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Golgi-associated PDZ and coiled-coil motif-containing protein CHEMBL1741218 | Kd | 7.06 | 7.06 | 87.0 | 1 |
| Na(+)/H(+) exchange regulatory cofactor NHE-RF1 CHEMBL4523125 | Kd | 5.4 | 5.4 | 3970.0 | 1 |
| Na(+)/H(+) exchange regulatory cofactor NHE-RF2 CHEMBL4739686 | Kd | 5.22 | 5.17 | 6040.0 | 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