Compound Detail
CHEMBL339385
DIADENOSINE TETRAPHOSPHATE Enter ChEMBL ID:
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Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL339385 |
| Name | DIADENOSINE TETRAPHOSPHATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOAHKNVSNCMZGQ-XPWFQUROSA-N |
8
Targets
19
Activities
2
Assay Types
5
PK Parameters
20
Publications
0
Known Names
Molecular Properties
836.4
MW (Da)
-2.45
ALogP
25
HBA
10
HBD
434.0
PSA (Ų)
0.06
QED
3
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 17 meas. best 6.84
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 2 CHEMBL4398 | EC50 | 6.84 | 6.2491 | 145.0 | 11 |
| P2X purinoceptor 1 CHEMBL2094 | EC50 | 6.74 | 6.74 | 182.0 | 1 |
| P2X purinoceptor 3 CHEMBL2998 | EC50 | 6.3 | 6.3 | 500.0 | 1 |
| P2X purinoceptor 4 CHEMBL2104 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| P2Y purinoceptor 4 CHEMBL2124 | EC50 | 5.52 | 5.52 | 3000.0 | 1 |
| P2X purinoceptor 2 CHEMBL2531 | EC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 4.34 | 4.34 | 46000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.03333 | hr | Homo sapiens |
| T1/2 | 0.07333 | hr | Homo sapiens |
| T1/2 | 0.04983 | hr | Rattus norvegicus |
| T1/2 | 0.03333 | hr | Homo sapiens |
| T1/2 | 0.07333 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine