Compound Detail
CHEMBL14249
ADENOSINE TRIPHOSPHATE 🧪 Phase II
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
🧪 Phase II
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL14249 |
| Name | ADENOSINE TRIPHOSPHATE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | ZKHQWZAMYRWXGA-KQYNXXCUSA-N |
29
Targets
87
Activities
4
Assay Types
7
PK Parameters
20
Publications
2
Known Names
3
Indications
Molecular Properties
507.2
MW (Da)
-1.63
ALogP
14
HBA
7
HBD
279.1
PSA (Ų)
0.20
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Alzheimer Disease Depressive Disorder Depressive Disorder, Major
Activity Summary
EC50 56 meas. best 9.0
IC50 15 meas. best 7.75
Kd 11 meas. best 7.43
Ki 5 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 9.0 | 9.0 | 1.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 7.75 | 7.75 | 18.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.75 | 6.2067 | 18.0 | 3 |
| P2Y purinoceptor 2 CHEMBL4398 | EC50 | 7.52 | 6.7165 | 30.1 | 20 |
| Unchecked CHEMBL612545 | Kd | 7.43 | 6.36 | 37.0 | 4 |
| P2X purinoceptor 1 CHEMBL2094 | EC50 | 7.25 | 7.25 | 56.0 | 1 |
| P2Y purinoceptor 1 CHEMBL4315 | EC50 | 6.82 | 6.2583 | 150.0 | 6 |
| P2Y purinoceptor 1 CHEMBL2497 | EC50 | 6.7 | 6.465 | 200.0 | 2 |
| P2X purinoceptor 3 CHEMBL2998 | EC50 | 6.47 | 6.47 | 340.0 | 1 |
| Kinesin-like protein KIFC1 CHEMBL3351200 | Kd | 6.36 | 6.36 | 436.0 | 1 |
| P2X purinoceptor 4 CHEMBL2104 | EC50 | 6.3 | 6.15 | 500.0 | 2 |
| P2X purinoceptor 4 CHEMBL2818 | EC50 | 6.0 | 6.0 | 1000.0 | 2 |
| P2X purinoceptor 5 CHEMBL2495 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
| P2X purinoceptor 4 CHEMBL2176849 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
| P2X purinoceptor 6 CHEMBL2122 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
| P2Y purinoceptor 4 CHEMBL2124 | EC50 | 5.93 | 5.84 | 1170.0 | 2 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | Kd | 5.89 | 5.89 | 1300.0 | 2 |
| P2X purinoceptor 2 CHEMBL2135 | EC50 | 5.85 | 5.85 | 1400.0 | 1 |
| CDGSH iron-sulfur domain-containing protein 1 CHEMBL1795168 | Kd | 5.72 | 5.72 | 1920.0 | 1 |
| MAP kinase-activated protein kinase 2 CHEMBL2208 | IC50 | 5.55 | 5.2233 | 2800.0 | 3 |
| P2Y purinoceptor 1 CHEMBL5720 | EC50 | 5.55 | 5.4333 | 2800.0 | 3 |
| Mitogen-activated protein kinase kinase kinase 7 CHEMBL5776 | Kd | 5.55 | 5.55 | 2800.0 | 1 |
| P2Y purinoceptor 12 CHEMBL2188 | EC50 | 5.5 | 5.5 | 3190.0 | 1 |
| Endoplasmin CHEMBL4748 | IC50 | 5.49 | 5.49 | 3241.0 | 1 |
| P2Y purinoceptor 11 CHEMBL4867 | EC50 | 5.48 | 5.07 | 3300.0 | 5 |
| Heat shock 70 kDa protein 1A CHEMBL5460 | IC50 | 5.47 | 5.47 | 3370.0 | 1 |
| P2Y purinoceptor 4 CHEMBL2123 | EC50 | 5.21 | 4.79 | 6200.0 | 2 |
| Heat shock cognate 71 kDa protein CHEMBL1275223 | IC50 | 4.76 | 4.76 | 17300.0 | 1 |
| Endoplasmin CHEMBL4748 | EC50 | 4.72 | 4.72 | 19000.0 | 1 |
| Heat shock protein 75 kDa, mitochondrial CHEMBL1075132 | IC50 | 4.5 | 4.5 | 31303.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
| Adenylate kinase 2, mitochondrial CHEMBL2376 | Ki | 4.05 | 4.05 | 90000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 5.7 | /uM | Homo sapiens |
| Ka | 27.5 | /nM | Homo sapiens |
| T1/2 | 2.0 | hr | Bos taurus |
| T1/2 | 0.25 | hr | Homo sapiens |
| T1/2 | 3.6 | hr | Homo sapiens |
| T1/2 | 7.7 | hr | Homo sapiens |
| T1/2 | 4.9 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine