Compound Detail
CHEMBL4095021
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CNCCCNCCCCNCCCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(CCCNCc1ccccc1OC)C3=O
Basic Information
| ChEMBL ID | CHEMBL4095021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQOJKQUAJBSULW-UHFFFAOYSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
642.8
MW (Da)
3.18
ALogP
9
HBA
4
HBD
132.1
PSA (Ų)
0.11
QED
1
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28157593 | 10.1016/j.ejmech.2017.01.025 | Unchecked | 3 |
| 28157593 | 10.1016/j.ejmech.2017.01.025 | SF-539 | 1 |
| 28157593 | 10.1016/j.ejmech.2017.01.025 | MDA-MB-468 | 1 |
| 28157593 | 10.1016/j.ejmech.2017.01.025 | HCC 2998 | 1 |
| 28157593 | 10.1016/j.ejmech.2017.01.025 | HCT-116 | 1 |
| 28157593 | 10.1016/j.ejmech.2017.01.025 | HCT-15 | 1 |
| 28157593 | 10.1016/j.ejmech.2017.01.025 | HT-29 | 1 |
| 28157593 | 10.1016/j.ejmech.2017.01.025 | KM12 | 1 |
| 28157593 | 10.1016/j.ejmech.2017.01.025 | SW-620 | 1 |
| 28157593 | 10.1016/j.ejmech.2017.01.025 | SF-268 | 1 |
| 28157593 | 10.1016/j.ejmech.2017.01.025 | SF-295 | 1 |
| 28157593 | 10.1016/j.ejmech.2017.01.025 | SK-MEL-5 | 1 |
| 28157593 | 10.1016/j.ejmech.2017.01.025 | SNB-19 | 1 |
| 28157593 | 10.1016/j.ejmech.2017.01.025 | SNB-75 | 1 |
| 28157593 | 10.1016/j.ejmech.2017.01.025 | U-251 | 1 |
| 28157593 | 10.1016/j.ejmech.2017.01.025 | LOX IMVI | 1 |
| 28157593 | 10.1016/j.ejmech.2017.01.025 | Malme-3M | 1 |
| 28157593 | 10.1016/j.ejmech.2017.01.025 | M14 | 1 |
| 28157593 | 10.1016/j.ejmech.2017.01.025 | MDA-MB-435 | 1 |
| 28157593 | 10.1016/j.ejmech.2017.01.025 | SK-MEL-2 | 1 |
Data from ChEMBL 36 via Core Engine