Compound Detail
CHEMBL4438510
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O=C([O-])CN1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O.[Na+]
Basic Information
| ChEMBL ID | CHEMBL4438510 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEERFKDXCQFXDZ-OZLKFZLXSA-M |
| Parent Compound | CHEMBL4551179 |
| Active Moiety | CHEMBL4551179 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
401.4
MW (Da)
3.43
ALogP
7
HBA
2
HBD
116.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Myc proto-oncogene protein CHEMBL1250348 | IC50 | 4.47 | 4.47 | 33650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Myc proto-oncogene protein | IC50 | = | 33650.0 | nM | 4.47 | Inhibition of Myc (unknown origin) expressed in HEK293T cells incubated for 16 h... | - |
Data from ChEMBL 36 via Core Engine