Compound Detail
CHEMBL1233147
GUANOSINE TRIPHOSPHATE Enter ChEMBL ID:
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Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL1233147 |
| Name | GUANOSINE TRIPHOSPHATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKMLYUALXHKNFT-UUOKFMHZSA-N |
2
Targets
7
Activities
3
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
523.2
MW (Da)
-2.34
ALogP
14
HBA
8
HBD
299.1
PSA (Ų)
0.17
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 5 meas. best 7.11
IC50 1 meas. best 4.03
Ki 1 meas. best 4.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ras-related protein Rab-7a CHEMBL4105784 | Kd | 7.11 | 6.6125 | 78.1 | 4 |
| 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9 CHEMBL4985 | Ki | 4.09 | 4.09 | 80700.0 | 1 |
| 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9 CHEMBL4985 | IC50 | 4.03 | 4.03 | 94000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ras-related protein Rab-7a | Kd | = | 78.14 | nM | 7.11 | Binding affinity to wild-type Rab7 (unknown origin) assessed as equilibrium diss... | - |
| Ras-related protein Rab-7a | Kd | = | 123.6 | nM | 6.91 | Binding affinity to Rab7 GTPase N161T mutant (unknown origin) assessed as equili... | - |
| Ras-related protein Rab-7a | Kd | = | 443.8 | nM | 6.35 | Binding affinity to Rab7 GTPase L129F mutant (unknown origin) assessed as equili... | - |
| Ras-related protein Rab-7a | Kd | = | 828.0 | nM | 6.08 | Binding affinity to Rab7 GTPase V162M mutant (unknown origin) assessed as equili... | - |
| 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9 | Ki | = | 80700.0 | nM | 4.09 | Inhibition of human recombinant alpha1,3-fucosyltransferase 9 using GDP-[14C]-fu... | 25438767 |
| 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9 | IC50 | = | 94000.0 | nM | 4.03 | Inhibition of human recombinant alpha1,3-fucosyltransferase 9 using GDP-[14C]-fu... | 25438767 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18067241 | 10.1021/jm7009952 | Unchecked | 3 |
| 25438767 | 10.1016/j.bmc.2014.09.038 | 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9 | 3 |
| 28105276 | 10.1021/acsmedchemlett.6b00373 | No relevant target | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 1672157 | 10.1021/jm00107a042 | Homo sapiens | 1 |
| 7910216 | 10.1021/jm00036a009 | Homo sapiens | 1 |
| 7910216 | 10.1021/jm00036a009 | Unchecked | 1 |
| - | 10.1016/S0960-894X(01)80527-8 | NON-PROTEIN TARGET | 1 |
| 16884311 | 10.1021/jm060490r | 2-dehydropantoate 2-reductase | 1 |
| 25438767 | 10.1016/j.bmc.2014.09.038 | Unchecked | 1 |
| - | 10.1039/C5MD00496A | Unchecked | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine