Compound Detail
CHEMBL74167
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O=C1c2cccc3cc(-c4ccccc4)cc(c23)C(=O)N1CCNCCCCNCCN1C(=O)c2cccc3cc(-c4ccccc4)cc(c23)C1=O
Basic Information
| ChEMBL ID | CHEMBL74167 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQWQMFPAKPWUNE-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
686.8
MW (Da)
7.18
ALogP
6
HBA
2
HBD
98.8
PSA (Ų)
0.10
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.68
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 21.0 | nM | 7.68 | Growth inhibitory concentration against human colon adenocarcinoma cell line (HT... | 15084122 |
| HT-29 | IC50 | = | 20.89 | nM | 7.68 | Negative logarithm of growth inhibitory concentration (IC50) against human colon... | 15084122 |
| HeLa | IC50 | = | 230.0 | nM | 6.64 | Growth inhibitory concentration against human cervical carcinoma (HeLa) cell lin... | 15084122 |
| PC-3 | IC50 | = | 1100.0 | nM | 5.96 | Growth inhibitory concentration against human prostate carcinoma (PC-3) cell lin... | 15084122 |
| PC-3 | IC50 | = | 1096.48 | nM | 5.96 | Negative logarithm of growth inhibitory concentration (IC50) against human prost... | 15084122 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15084122 | 10.1021/jm0310784 | HT-29 | 2 |
| 15084122 | 10.1021/jm0310784 | HeLa | 2 |
| 15084122 | 10.1021/jm0310784 | PC-3 | 2 |
Data from ChEMBL 36 via Core Engine