Compound Detail
CHEMBL1229920
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Basic Information
| ChEMBL ID | CHEMBL1229920 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWPYUXAXLRFWQC-KVQBGUIXSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
269.2
MW (Da)
-0.81
ALogP
8
HBA
3
HBD
119.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| HEp-2 CHEMBL614735 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| L1210 CHEMBL386 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Adenylate cyclase type 5 CHEMBL2880 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEp-2 | IC50 | = | 200.0 | nM | 6.7 | Compound was tested for cytotoxicity against HEp-2 cell lines | 1732556 |
| CCRF-CEM | IC50 | = | 200.0 | nM | 6.7 | Compound was tested for cytotoxicity against CCRF-CEM cell lines | 1732556 |
| L1210 | IC50 | = | 900.0 | nM | 6.05 | Compound was tested for cytotoxicity against L1210 cell lines | 1732556 |
| Adenylate cyclase type 5 | IC50 | = | 4600.0 | nM | 5.34 | Compound was evaluated for inhibition of adenylate cyclase from rat brain | 14971900 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14971900 | 10.1021/jm0303599 | Adenylate cyclase type 5 | 2 |
| 1732556 | 10.1021/jm00080a029 | HEp-2 | 1 |
| 1732556 | 10.1021/jm00080a029 | L1210 | 1 |
| 1732556 | 10.1021/jm00080a029 | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine