Compound Detail
CHEMBL376080
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COC(=O)[C@H](NC(=O)CN1CCOCCOCCN(CC(=O)N[C@@H](C(=O)OC)c2ccccc2)CCOCCOCC1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL376080 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXHMDNUDJASZBX-ROJLCIKYSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
672.8
MW (Da)
0.73
ALogP
12
HBA
2
HBD
154.2
PSA (Ų)
0.34
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17300184 | 10.1021/jm061162u | HeLa | 1 |
| 17300184 | 10.1021/jm061162u | MIA PaCa-2 | 1 |
| 17300184 | 10.1021/jm061162u | NCI-H460 | 1 |
| 17300184 | 10.1021/jm061162u | SW-620 | 1 |
| 17300184 | 10.1021/jm061162u | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine