Compound Detail
CHEMBL22344
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CC(=O)N(Cc1ccc2nc(N)nc(O)c2c1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL22344 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSALQHPMBKCQDP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
481.5
MW (Da)
1.52
ALogP
8
HBA
5
HBD
196.0
PSA (Ų)
0.30
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trifunctional purine biosynthetic protein adenosine-3 CHEMBL3690 | Ki | 5.89 | 5.89 | 1300.0 | 1 |
| Trifunctional purine biosynthetic protein adenosine-3 CHEMBL3972 | Ki | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trifunctional purine biosynthetic protein adenosine-3 | Ki | = | 1300.0 | nM | 5.89 | Compound was evaluated for the inhibition of GAR transformylase isolated from mu... | 3761327 |
| Trifunctional purine biosynthetic protein adenosine-3 | Ki | = | 1300.0 | nM | 5.89 | Inhibition of GAR transformylase isolated from murine lymphoma cell line L5178Y | 3599031 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3761327 | 10.1021/jm00160a056 | Trifunctional purine biosynthetic protein adenosine-3 | 1 |
| 3599031 | 10.1021/jm00390a024 | Trifunctional purine biosynthetic protein adenosine-3 | 1 |
Data from ChEMBL 36 via Core Engine