Compound Detail
CHEMBL2402007
(-)-PRANTSCHIMGIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2402007 |
| Name | (-)-PRANTSCHIMGIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQCLZBCFLJVBGA-INIZCTEOSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
3.38
ALogP
5
HBA
0
HBD
65.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 4.83 | 4.83 | 14950.0 | 1 |
| PANC-1 CHEMBL614139 | IC50 | 4.08 | 4.08 | 83300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 3100.0 | nM | 5.51 | Cytotoxicity against human MES-SA/Dx5 cells after 96 hrs by MTT assay | 23746477 |
| HT-29 | IC50 | = | 5200.0 | nM | 5.28 | Cytotoxicity against human HT-29 cells after 96 hrs by MTT assay | 23746477 |
| HCT-116 | IC50 | = | 14950.0 | nM | 4.83 | Cytotoxicity against human HCT116 cells after 96 hrs by MTT assay | 23746477 |
| PANC-1 | IC50 | = | 83300.0 | nM | 4.08 | Cytotoxicity against human PANC1 cells after 96 hrs by MTT assay | 23746477 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23746477 | 10.1016/j.bmcl.2013.04.081 | HCT-116 | 1 |
| 23746477 | 10.1016/j.bmcl.2013.04.081 | Acetylcholinesterase | 1 |
| 23746477 | 10.1016/j.bmcl.2013.04.081 | PANC-1 | 1 |
| 23746477 | 10.1016/j.bmcl.2013.04.081 | HT-29 | 1 |
| 23746477 | 10.1016/j.bmcl.2013.04.081 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine