Compound Detail
CHEMBL4440863
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O=C(CN1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O)N1CCN(c2ccccc2)CC1
Basic Information
| ChEMBL ID | CHEMBL4440863 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUCAURPTHGFOLT-JWGURIENSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
545.6
MW (Da)
4.69
ALogP
8
HBA
1
HBD
102.8
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Myc proto-oncogene protein CHEMBL1250348 | IC50 | 5.15 | 5.15 | 7010.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Myc proto-oncogene protein | IC50 | = | 7010.0 | nM | 5.15 | Inhibition of Myc (unknown origin) expressed in HEK293T cells incubated for 16 h... | - |
Data from ChEMBL 36 via Core Engine