Compound Detail
CHEMBL450768
MICROCOLIN A Enter ChEMBL ID:
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CCCC[C@@H](C)C[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N(C)[C@H](C(=O)N1C[C@@H](O)C[C@H]1C(=O)N1C(=O)C=C[C@@H]1C)C(C)C)[C@H](C)OC(C)=O
Basic Information
| ChEMBL ID | CHEMBL450768 |
| Name | MICROCOLIN A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSXKGFVHTYHBSG-SHMFXOQKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
748.0
MW (Da)
2.91
ALogP
9
HBA
2
HBD
173.9
PSA (Ų)
0.16
QED
1
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lymphocyte CHEMBL612599 | EC50 | 8.82 | 8.82 | 1.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lymphocyte | EC50 | = | 1.5 | nM | 8.82 | Immunosuppressive activity in mouse lymphocyte assessed as suppression of two-wa... | 1517734 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1517734 | 10.1021/np50083a009 | Lymphocyte | 1 |
| 1517734 | 10.1021/np50083a009 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine