Compound Detail
CHEMBL2425137
CYANIN Enter ChEMBL ID:
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OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL2425137 |
| Name | CYANIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDFLLVCQYHQOBU-ZOTFFYTFSA-O |
1
Targets
2
Activities
2
Assay Types
1
PK Parameters
1
Publications
0
Known Names
Molecular Properties
611.5
MW (Da)
-2.14
ALogP
15
HBA
11
HBD
270.8
PSA (Ų)
0.10
QED
3
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.12
Kd 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | IC50 | 4.12 | 4.12 | 75000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 1.15 | 10'2/M | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | IC50 | = | 75000.0 | nM | 4.12 | Inhibition of human thrombin amidolytic activity using D-Phe-Pip-Arg-pNA as subs... | 24610996 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24610996 | 10.1007/s00044-013-0829-4 | Prothrombin | 9 |
Data from ChEMBL 36 via Core Engine