Compound Detail
CHEMBL4228688
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CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2cccc(C(=O)N3CCC3)c2)[nH]c1=O
Basic Information
| ChEMBL ID | CHEMBL4228688 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHLDEEBOAVVBDA-WHYMJUELSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
0.59
ALogP
4
HBA
3
HBD
114.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29571653 | 10.1016/j.bmc.2018.03.005 | Tubulin | 1 |
| 29571653 | 10.1016/j.bmc.2018.03.005 | BXPC-3 | 1 |
| 29571653 | 10.1016/j.bmc.2018.03.005 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine