Compound Detail
CHEMBL477486
DEOXYGUANOSINE TRIPHOSPHATE 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
Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL477486 |
| Name | DEOXYGUANOSINE TRIPHOSPHATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAAZLUGHYHWQIW-KVQBGUIXSA-N |
3
Targets
4
Activities
1
Assay Types
3
PK Parameters
10
Publications
0
Known Names
Molecular Properties
507.2
MW (Da)
-1.31
ALogP
13
HBA
7
HBD
278.9
PSA (Ų)
0.20
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA polymerase subunit gamma-1 CHEMBL2732 | Kd | 6.1 | 6.1 | 800.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 6.1 | 6.1 | 800.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | Kd | 5.38 | 5.38 | 4200.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.3 | hr | Homo sapiens |
| T1/2 | 24.0 | hr | - |
| T1/2 | 1.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA polymerase subunit gamma-1 | Kd | = | 800.0 | nM | 6.1 | Binding affinity to exonuclase deficient human recombinant DNA polymerase gamma ... | 17573351 |
| Unchecked | Kd | = | 800.0 | nM | 6.1 | Binding affinity to exonuclase deficient HSV1 DNA polymerase UL42 D368A mutant | 17573351 |
| Human immunodeficiency virus type 1 reverse transcriptase | Kd | = | 4200.0 | nM | 5.38 | Binding affinity to HIV1 reverse transcriptase | 19596885 |
| Human immunodeficiency virus type 1 reverse transcriptase | Kd | = | 4200.0 | nM | 5.38 | Binding affinity to HIV1 reverse transcriptase assessed as L-3'-azido-NTP incorp... | 21700368 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11738582 | 10.1016/s0960-894x(01)00685-0 | ADMET | 3 |
| 17573351 | 10.1074/jbc.m703972200 | DNA polymerase subunit gamma-1 | 3 |
| 17573351 | 10.1074/jbc.m703972200 | Unchecked | 3 |
| 19596885 | 10.1128/aac.00392-09 | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
| 21700368 | 10.1016/j.ejmech.2011.05.051 | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
| 21413808 | 10.1021/jm1013693 | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
| 30771603 | 10.1016/j.ejmech.2019.02.011 | Oxidized purine nucleoside triphosphate hydrolase | 2 |
| 11881997 | 10.1021/jm011011l | Homo sapiens | 1 |
| 11881997 | 10.1021/jm011011l | ADMET | 1 |
| - | 10.1016/S0960-894X(96)00482-9 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine