Compound Detail
CHEMBL1771632
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Basic Information
| ChEMBL ID | CHEMBL1771632 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYVATKRXGZRKNH-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
4.37
ALogP
6
HBA
1
HBD
70.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.18 | 5.0667 | 6600.0 | 3 |
| HeLa CHEMBL399 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 6600.0 | nM | 5.18 | Antiproliferative activity against human Molt4/C8 cells assessed as inhibition o... | 21146985 |
| HeLa | IC50 | = | 7300.0 | nM | 5.14 | Antiproliferative activity against human HeLa cells assessed as inhibition of ce... | 21146985 |
| NON-PROTEIN TARGET | IC50 | = | 8700.0 | nM | 5.06 | Antiproliferative activity against human CEM/0 cells assessed as inhibition of c... | 21146985 |
| NON-PROTEIN TARGET | IC50 | = | 11000.0 | nM | 4.96 | Antiproliferative activity against mouse FM3A/0 cells assessed as inhibition of ... | 21146985 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21146985 | 10.1016/j.bmcl.2010.11.083 | NON-PROTEIN TARGET | 3 |
| 21146985 | 10.1016/j.bmcl.2010.11.083 | L1210 | 1 |
| 21146985 | 10.1016/j.bmcl.2010.11.083 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine