Compound Detail
CHEMBL425511
CHROMOTROPATE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL425511 |
| Name | CHROMOTROPATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFGPCIMUGMJQPD-UHFFFAOYSA-L |
| Parent Compound | CHEMBL144298 |
| Active Moiety | CHEMBL144298 |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
320.3
MW (Da)
0.74
ALogP
6
HBA
4
HBD
149.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase 1 CHEMBL4452 | IC50 | 5.19 | 5.19 | 6500.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.01 | 5.01 | 9700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase 1 | IC50 | = | 6500.0 | nM | 5.19 | Inhibitory activity against Saccharomyces cerevisiae Tyrosine phosphatase 1 | 15050628 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 9700.0 | nM | 5.01 | Inhibition of human PTPase 1B | 15050628 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1282569 | 10.1021/jm00104a010 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 1282569 | 10.1021/jm00104a010 | MT4 | 2 |
| 15050628 | 10.1016/j.bmcl.2004.01.079 | Unchecked | 1 |
| 15050628 | 10.1016/j.bmcl.2004.01.079 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 15050628 | 10.1016/j.bmcl.2004.01.079 | Tyrosine-protein phosphatase 1 | 1 |
Data from ChEMBL 36 via Core Engine