Compound Detail
CHEMBL104615
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CN(C)CCNC(=O)c1ccc(NCCCN(C)CCCNc2ccc(C(=O)NCCN(C)C)c3nc4ccc([N+](=O)[O-])cc4c(O)c23)c2c(O)c3cc([N+](=O)[O-])ccc3nc12
Basic Information
| ChEMBL ID | CHEMBL104615 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNERTESFKPZEMY-UHFFFAOYSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
850.0
MW (Da)
5.14
ALogP
15
HBA
6
HBD
244.5
PSA (Ų)
0.03
QED
4
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12825949 | 10.1021/jm030820x | ADMET | 3 |
| 12825949 | 10.1021/jm030820x | RPMI-8226 | 3 |
| 12825949 | 10.1021/jm030820x | NCI-H460 | 3 |
| 12825949 | 10.1021/jm030820x | HCT-116 | 3 |
| 12825949 | 10.1021/jm030820x | SNB-19 | 3 |
| 12825949 | 10.1021/jm030820x | LOX IMVI | 3 |
| 12825949 | 10.1021/jm030820x | OVCAR-4 | 3 |
| 12825949 | 10.1021/jm030820x | 786-0 | 3 |
| 12825949 | 10.1021/jm030820x | DU-145 | 3 |
| 12825949 | 10.1021/jm030820x | MCF7 | 3 |
| 15456268 | 10.1021/jm049706k | Nucleic Acid | 2 |
| 12825949 | 10.1021/jm030820x | Homo sapiens | 1 |
| 15456268 | 10.1021/jm049706k | Calf thymus DNA | 1 |
| 15456268 | 10.1021/jm049706k | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine