Compound Detail
CHEMBL993
THYMINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL993 |
| Name | THYMINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWQNBRDOKXIBIV-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
126.1
MW (Da)
-0.63
ALogP
2
HBA
2
HBD
65.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 2.0
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATPase family AAA domain-containing protein 2 CHEMBL2150837 | Kd | 2.0 | 2.0 | 10000000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATPase family AAA domain-containing protein 2 | Kd | = | 10000000.0 | nM | 2.0 | Binding affinity to recombinant human ATAD2 (982 to 1108 amino acids) bromodomai... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15081000 | 10.1016/j.bmcl.2004.02.031 | ADMET | 3 |
| 15081000 | 10.1016/j.bmcl.2004.02.031 | CCRF-CEM | 1 |
| 15081000 | 10.1016/j.bmcl.2004.02.031 | Vero | 1 |
| 14552762 | 10.1016/j.bmcl.2003.08.010 | Thymidine phosphorylase | 1 |
| 20166736 | 10.1021/np900539j | KB | 1 |
| 20674371 | 10.1016/j.bmc.2010.07.017 | Influenza A virus | 1 |
| 20674371 | 10.1016/j.bmc.2010.07.017 | Influenza B virus | 1 |
| 20674371 | 10.1016/j.bmc.2010.07.017 | MDCK | 1 |
| 874966 | 10.1021/jm00217a009 | W256 | 1 |
| 874966 | 10.1021/jm00217a009 | P388 | 1 |
| 874966 | 10.1021/jm00217a009 | B16 | 1 |
| - | 10.1039/C4MD00237G | ATPase family AAA domain-containing protein 2 | 1 |
Data from ChEMBL 36 via Core Engine