Compound Detail
CHEMBL406220
TAUTOMYCIN DIACID Enter ChEMBL ID:
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CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)/C(C(=O)O)=C(\C)C(=O)O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL406220 |
| Name | TAUTOMYCIN DIACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLYBGKSOQRCWMB-SPVJCFRKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
785.0
MW (Da)
4.87
ALogP
12
HBA
5
HBD
223.4
PSA (Ų)
0.07
QED
2
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein phosphatase PP1-gamma catalytic subunit CHEMBL4438 | Ki | 8.35 | 8.35 | 4.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein phosphatase PP1-gamma catalytic subunit | Ki | = | 4.5 | nM | 8.35 | Inhibition of PP1gamma by firefly bioluminescence assay | 18061458 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18061458 | 10.1016/j.bmc.2007.11.034 | Serine/threonine-protein phosphatase PP1-gamma catalytic subunit | 1 |
Data from ChEMBL 36 via Core Engine