Compound Detail
CHEMBL594189
(3'Z)-5-AMINOISOINDIGO Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL594189 |
| Name | (3'Z)-5-AMINOISOINDIGO |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFSDWLNXRDRACG-BUHFOSPRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
277.3
MW (Da)
2.08
ALogP
3
HBA
3
HBD
84.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PC-3 | IC50 | = | 25000.0 | nM | 4.6 | Antiproliferative activity against human PC3 cells after 72 hrs by imaging analy... | 19665384 |
| NON-PROTEIN TARGET | IC50 | = | 25000.0 | nM | 4.6 | Antiproliferative activity against human NCI/ADR cells after 72 hrs by imaging a... | 19665384 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19665384 | 10.1016/j.bmc.2009.07.051 | PC-3 | 1 |
| 19665384 | 10.1016/j.bmc.2009.07.051 | NON-PROTEIN TARGET | 1 |
| 19665384 | 10.1016/j.bmc.2009.07.051 | Huh-7 | 1 |
| 19665384 | 10.1016/j.bmc.2009.07.051 | Caco-2 | 1 |
| 19665384 | 10.1016/j.bmc.2009.07.051 | HCT-116 | 1 |
| 19665384 | 10.1016/j.bmc.2009.07.051 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine