Compound Detail
CHEMBL598023
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Basic Information
| ChEMBL ID | CHEMBL598023 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIHJOQYJXGGLDZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
492.8
MW (Da)
9.13
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.16
QED
1
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 4.33 | 4.33 | 46430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 46430.0 | nM | 4.33 | Cytotoxicity against human HeLa cells after 72 hrs by MTT assay | 20170164 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20170164 | 10.1021/jm100025u | HeLa | 2 |
| 20170164 | 10.1021/jm100025u | HL-60 | 1 |
| 20170164 | 10.1021/jm100025u | MCF7 | 1 |
| 20170164 | 10.1021/jm100025u | NON-PROTEIN TARGET | 1 |
| 20170164 | 10.1021/jm100025u | MKN-45 | 1 |
Data from ChEMBL 36 via Core Engine