Compound Detail
CHEMBL394608
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Basic Information
| ChEMBL ID | CHEMBL394608 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUICSWFGCPYXSC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
412.4
MW (Da)
2.55
ALogP
6
HBA
4
HBD
145.8
PSA (Ų)
0.29
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 6.05 | 6.05 | 893.0 | 1 |
| L1210 CHEMBL386 | IC50 | 4.59 | 4.59 | 25600.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 893.0 | nM | 6.05 | Inhibition of human Chk1 expressed in Sf9 cells | 17722905 |
| L1210 | IC50 | = | 25600.0 | nM | 4.59 | Antiproliferative activity against mouse L1210 cells after 4 hrs by microculture... | 17722905 |
| HT-29 | IC50 | = | 50000.0 | nM | 4.3 | Antiproliferative activity against human HT29 cells after 4 hrs by microculture ... | 17722905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17722905 | 10.1021/jm070664k | Serine/threonine-protein kinase Chk1 | 2 |
| 17722905 | 10.1021/jm070664k | HT-29 | 1 |
| 17722905 | 10.1021/jm070664k | HCT-116 | 1 |
| 17722905 | 10.1021/jm070664k | L1210 | 1 |
Data from ChEMBL 36 via Core Engine