Compound Detail
CHEMBL131890
ATPGAMMAS Enter ChEMBL ID:
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Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(O)(O)=S)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL131890 |
| Name | ATPGAMMAS |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLTUCYMLOPLUHL-KQYNXXCUSA-N |
10
Targets
12
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
523.2
MW (Da)
-1.51
ALogP
14
HBA
7
HBD
262.1
PSA (Ų)
0.19
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 12 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 11 CHEMBL4867 | EC50 | 7.2 | 6.36 | 63.1 | 2 |
| P2X purinoceptor 5 CHEMBL2495 | EC50 | 6.22 | 6.22 | 600.0 | 1 |
| P2X purinoceptor 3 CHEMBL2998 | EC50 | 6.16 | 6.16 | 690.0 | 1 |
| P2X purinoceptor 6 CHEMBL2122 | EC50 | 5.89 | 5.89 | 1300.0 | 1 |
| P2Y purinoceptor 12 CHEMBL2188 | EC50 | 5.89 | 5.89 | 1300.0 | 1 |
| P2Y purinoceptor 1 CHEMBL5720 | EC50 | 5.89 | 5.89 | 1300.0 | 1 |
| P2X purinoceptor 2 CHEMBL2135 | EC50 | 5.82 | 5.82 | 1500.0 | 1 |
| P2Y purinoceptor 2 CHEMBL4398 | EC50 | 5.76 | 5.76 | 1720.0 | 2 |
| P2X purinoceptor 1 CHEMBL2094 | EC50 | 5.64 | 5.64 | 2300.0 | 1 |
| P2X purinoceptor 4 CHEMBL2818 | EC50 | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23751098 | 10.1021/jm400197m | NON-PROTEIN TARGET | 2 |
| 12213051 | 10.1021/jm020046y | P2Y purinoceptor 1 | 1 |
| 12213051 | 10.1021/jm020046y | P2Y purinoceptor 2 | 1 |
| 12213051 | 10.1021/jm020046y | P2Y purinoceptor 11 | 1 |
| 12213051 | 10.1021/jm020046y | P2Y purinoceptor 12 | 1 |
| 12213051 | 10.1021/jm020046y | P2X purinoceptor 1 | 1 |
| 12213051 | 10.1021/jm020046y | P2X purinoceptor 2 | 1 |
| 12213051 | 10.1021/jm020046y | P2X purinoceptor 3 | 1 |
| 12213051 | 10.1021/jm020046y | P2X purinoceptor 4 | 1 |
| 12213051 | 10.1021/jm020046y | P2X purinoceptor 5 | 1 |
| 12213051 | 10.1021/jm020046y | P2X purinoceptor 6 | 1 |
| 17941622 | 10.1021/jm070043r | P2Y purinoceptor 11 | 1 |
| 29254895 | 10.1016/j.bmc.2017.11.043 | P2Y purinoceptor 2 | 1 |
Data from ChEMBL 36 via Core Engine