Compound Detail
CHEMBL509693
DISCORHABDIN W Enter ChEMBL ID:
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O=C(O)C(F)(F)F.O=C1C=C(SSC2=CC(=O)C(Br)=C[C@]23C=CNC2=C3C3=NCCc4c[nH]c(c43)C2=O)[C@@]2(C=CNC3=C2C2=NCCc4c[nH]c(c42)C3=O)C=C1Br
Basic Information
| ChEMBL ID | CHEMBL509693 |
| Name | DISCORHABDIN W |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDACHZDGIIXHRQ-OZBLHQGLSA-N |
| Parent Compound | CHEMBL1187570 |
| Active Moiety | CHEMBL1187570 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
826.5
MW (Da)
5.71
ALogP
10
HBA
4
HBD
148.6
PSA (Ų)
0.29
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P388 CHEMBL389 | IC50 | 7.08 | 7.08 | 84.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 84.0 | nM | 7.08 | Cytotoxicity against mouse P388 cells | 16378380 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16378380 | 10.1021/np050333f | P388 | 1 |
Data from ChEMBL 36 via Core Engine