Compound Detail
CHEMBL377312
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Basic Information
| ChEMBL ID | CHEMBL377312 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOVBBVMDHIRCTG-LJQANCHMSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
419.9
MW (Da)
4.23
ALogP
4
HBA
3
HBD
76.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.52
EC50 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 9.52 | 9.505 | 0.3 | 2 |
| MDA-MB-435 CHEMBL614697 | EC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 0.3 | nM | 9.52 | Inhibition of Chk1 (unknown origin) expressed in Sf9 insect cells using biotinyl... | 35413618 |
| Serine/threonine-protein kinase Chk1 | IC50 | = | 0.32 | nM | 9.49 | Inhibition of CHK1 | 16603354 |
| MDA-MB-435 | EC50 | = | 80.0 | nM | 7.1 | Cytotoxicity against human MDA-MB-435 cells | 16603354 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38116412 | 10.1021/acsmedchemlett.3c00274 | Serine/threonine-protein kinase Chk1 | 12 |
| 38116412 | 10.1021/acsmedchemlett.3c00274 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 10 |
| - | 10.6019/CHEMBL5724696 | U2OS | 8 |
| 16603354 | 10.1016/j.bmcl.2006.03.059 | Unchecked | 3 |
| 16603354 | 10.1016/j.bmcl.2006.03.059 | MDA-MB-435 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 35413618 | 10.1016/j.ejmech.2022.114304 | Serine/threonine-protein kinase Chk1 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 38116412 | 10.1021/acsmedchemlett.3c00274 | Casein kinase II subunit alpha | 1 |
| 38116412 | 10.1021/acsmedchemlett.3c00274 | Casein kinase II subunit alpha' | 1 |
| 38116412 | 10.1021/acsmedchemlett.3c00274 | Serine/threonine-protein kinase Chk2 | 1 |
| 38116412 | 10.1021/acsmedchemlett.3c00274 | Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta | 1 |
| 38116412 | 10.1021/acsmedchemlett.3c00274 | Phosphatidylinositol 3-kinase C2 domain-containing subunit gamma | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 38116412 | 10.1021/acsmedchemlett.3c00274 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 38116412 | 10.1021/acsmedchemlett.3c00274 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 38116412 | 10.1021/acsmedchemlett.3c00274 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 38116412 | 10.1021/acsmedchemlett.3c00274 | Serine/threonine-protein kinase 38-like | 1 |
| 16603354 | 10.1016/j.bmcl.2006.03.059 | Serine/threonine-protein kinase Chk1 | 1 |
Data from ChEMBL 36 via Core Engine