Compound Detail
CHEMBL73034
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C1c2cccc3nc(Cl)cc(c23)C(=O)N1CCNCCCCNCCN1C(=O)c2cccc3nc(Cl)cc(c23)C1=O
Basic Information
| ChEMBL ID | CHEMBL73034 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XAPSDQONRKOJGY-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
605.5
MW (Da)
3.94
ALogP
8
HBA
2
HBD
124.6
PSA (Ų)
0.15
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.8
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 160.0 | nM | 6.8 | Growth inhibitory concentration against human colon adenocarcinoma cell line (HT... | 15084122 |
| HT-29 | IC50 | = | 158.49 | nM | 6.8 | Negative logarithm of growth inhibitory concentration (IC50) against human colon... | 15084122 |
| HeLa | IC50 | = | 270.0 | nM | 6.57 | Growth inhibitory concentration against human cervical carcinoma (HeLa) cell lin... | 15084122 |
| PC-3 | IC50 | = | 5420.0 | nM | 5.27 | Growth inhibitory concentration against human prostate carcinoma (PC-3) cell lin... | 15084122 |
| PC-3 | IC50 | = | 5370.32 | nM | 5.27 | 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