Compound Detail
CHEMBL2419346
CUDC-305 Phase I
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Phase I
Basic Information
| ChEMBL ID | CHEMBL2419346 |
| Name | CUDC-305 |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | RVJIQAYFTOPTKK-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
13
Publications
5
Known Names
4
Indications
Molecular Properties
442.6
MW (Da)
3.60
ALogP
9
HBA
2
HBD
90.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Carcinoma, Non-Small-Cell Lung Lymphoma Neoplasms Psoriasis
Activity Summary
IC50 5 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha CHEMBL3880 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
| Heat shock protein HSP 90-beta CHEMBL4303 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Endoplasmin CHEMBL4748 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| Heat shock protein 75 kDa, mitochondrial CHEMBL1075132 | IC50 | 5.8 | 5.8 | 1586.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha | IC50 | = | 33.0 | nM | 7.48 | Displacement of 5-(3-(3-(6-amino-8-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-9H-purin... | 23965125 |
| Heat shock protein HSP 90-beta | IC50 | = | 38.0 | nM | 7.42 | Displacement of 5-(3-(3-(6-amino-8-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-9H-purin... | 23965125 |
| MV4-11 | IC50 | = | 100.0 | nM | 7.0 | Antiproliferative activity against human MV4-11 cells after 120 hrs by TopCount ... | 31663736 |
| Endoplasmin | IC50 | = | 190.0 | nM | 6.72 | Displacement of 5-(3-(3-(6-amino-8-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-9H-purin... | 23965125 |
| Heat shock protein 75 kDa, mitochondrial | IC50 | = | 1586.0 | nM | 5.8 | Displacement of 5-(3-(3-(6-amino-8-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-9H-purin... | 23965125 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29110989 | 10.1016/j.bmcl.2017.10.036 | Cell cycle histidine kinase CckA | 3 |
| 29110989 | 10.1016/j.bmcl.2017.10.036 | Virulence sensor histidine kinase PhoQ | 2 |
| 29110989 | 10.1016/j.bmcl.2017.10.036 | Histidine protein kinase DivJ | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 23965125 | 10.1021/jm400619b | Heat shock protein 75 kDa, mitochondrial | 1 |
| 23965125 | 10.1021/jm400619b | Endoplasmin | 1 |
| 23965125 | 10.1021/jm400619b | Heat shock protein HSP 90-beta | 1 |
| 23965125 | 10.1021/jm400619b | Heat shock protein HSP 90-alpha | 1 |
| 29110989 | 10.1016/j.bmcl.2017.10.036 | Erythrocyte | 1 |
| 29110989 | 10.1016/j.bmcl.2017.10.036 | Escherichia coli | 1 |
| 29110989 | 10.1016/j.bmcl.2017.10.036 | Bacillus subtilis | 1 |
| 29110989 | 10.1016/j.bmcl.2017.10.036 | Caulobacter vibrioides | 1 |
| 31663736 | 10.1021/acs.jmedchem.9b00940 | MV4-11 | 1 |
Data from ChEMBL 36 via Core Engine