Compound Detail
CHEMBL606210
N-METHANOCARBA-UTP Enter ChEMBL ID:
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O=c1ccn([C@H]2[C@H](O)[C@H](O)[C@]3(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@H]23)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL606210 |
| Name | N-METHANOCARBA-UTP |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWFVJTIKQWQNID-KAACBLBJSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
494.2
MW (Da)
-1.84
ALogP
11
HBA
7
HBD
255.1
PSA (Ų)
0.20
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 2 CHEMBL4398 | EC50 | 8.1 | 7.9 | 8.0 | 3 |
| P2Y purinoceptor 4 CHEMBL2123 | EC50 | 7.31 | 7.19 | 49.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 2 | EC50 | = | 8.0 | nM | 8.1 | Measure of Agonist Potency at human P2Y purinoceptor 2 (hP2Y2) stably expressed ... | 11754592 |
| P2Y purinoceptor 2 | EC50 | = | 15.9 | nM | 7.8 | Measure of Agonist Potency at human P2Y purinoceptor 2 (hP2Y2) stably expressed ... | 11754592 |
| P2Y purinoceptor 2 | EC50 | = | 15.9 | nM | 7.8 | Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed... | 20095577 |
| P2Y purinoceptor 4 | EC50 | = | 49.0 | nM | 7.31 | Measure of Agonist Potency at human P2Y purinoceptor 4 (hP2Y4) stably expressed ... | 11754592 |
| P2Y purinoceptor 4 | EC50 | = | 85.0 | nM | 7.07 | Measure of Agonist Potency at human P2Y purinoceptor 4 (hP2Y4) stably expressed ... | 11754592 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11754592 | 10.1021/jm010369e | P2Y purinoceptor 2 | 2 |
| 11754592 | 10.1021/jm010369e | P2Y purinoceptor 4 | 2 |
| 11754592 | 10.1021/jm010369e | P2Y purinoceptor 6 | 1 |
| 11754592 | 10.1021/jm010369e | P2Y purinoceptor 11 | 1 |
| 20095577 | 10.1021/jm901450d | P2Y purinoceptor 2 | 1 |
Data from ChEMBL 36 via Core Engine