Compound Detail
CHEMBL510049
GRANDISINE I Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL510049 |
| Name | GRANDISINE I |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPMIRWSZFAXDKP-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
301.3
MW (Da)
2.12
ALogP
6
HBA
2
HBD
80.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGBC11TKB CHEMBL2366374 | IC50 | 4.71 | 4.71 | 19300.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.61 | 4.61 | 24400.0 | 1 |
| CCRF-HSB-2 CHEMBL614541 | IC50 | 4.54 | 4.54 | 29200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGBC11TKB | IC50 | = | 19300.0 | nM | 4.71 | Antiproliferative activity against human TGBC11TKB cells after 3 days by alamar ... | 10217715 |
| A549 | IC50 | = | 24400.0 | nM | 4.61 | Antiproliferative activity against human A549 cells after 3 days by alamar blue ... | 10217715 |
| CCRF-HSB-2 | IC50 | = | 29200.0 | nM | 4.54 | Antiproliferative activity against human CCRF-HSB-2 cells after 3 days by alamar... | 10217715 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10217715 | 10.1021/np980504z | A549 | 1 |
| 10217715 | 10.1021/np980504z | CCRF-HSB-2 | 1 |
| 10217715 | 10.1021/np980504z | TGBC11TKB | 1 |
| 10217715 | 10.1021/np980504z | B16 | 1 |
Data from ChEMBL 36 via Core Engine