Compound Detail
CHEMBL295003
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Basic Information
| ChEMBL ID | CHEMBL295003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWARBJPXURXCIU-DZGCQCFKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
2.74
ALogP
6
HBA
2
HBD
89.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine deaminase CHEMBL2966 | Ki | 9.12 | 9.12 | 0.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine deaminase | Ki | = | 0.76 | nM | 9.12 | Compound was evaluated for inhibition of calf intestinal mucosa adenosine deamin... | 9873405 |
| Adenosine deaminase | Ki | = | 0.76 | nM | 9.12 | Inhibition of Adenosine deaminase (ADA) of calf intestine | 11101360 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873405 | 10.1016/s0960-894x(98)00291-1 | Adenosine deaminase | 1 |
| 11101360 | 10.1021/jm0002533 | Adenosine deaminase | 1 |
Data from ChEMBL 36 via Core Engine