Compound Detail
CHEMBL4587175
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CC(C)N1C(=O)S/C(=C\c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4[nH]3)o2)C1=O
Basic Information
| ChEMBL ID | CHEMBL4587175 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFZDOHADQMTDAT-ZSOIEALJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
430.5
MW (Da)
4.66
ALogP
8
HBA
1
HBD
122.3
PSA (Ų)
0.35
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Myc proto-oncogene protein CHEMBL1250348 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Myc proto-oncogene protein | IC50 | = | 360.0 | nM | 6.44 | Inhibition of Myc (unknown origin) expressed in HEK293T cells incubated for 16 h... | - |
Data from ChEMBL 36 via Core Engine