Compound Detail
CHEMBL4448869
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O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCCN1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O
Basic Information
| ChEMBL ID | CHEMBL4448869 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHEZJDRNSJAKFT-WIQGMPOSSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
626.8
MW (Da)
4.58
ALogP
9
HBA
4
HBD
149.4
PSA (Ų)
0.13
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Myc proto-oncogene protein CHEMBL1250348 | IC50 | 5.64 | 5.64 | 2280.0 | 1 |
| NAMALVA CHEMBL614049 | IC50 | 4.92 | 4.92 | 12170.0 | 1 |
| Lymphoma cell line CHEMBL614114 | IC50 | 4.58 | 4.58 | 26040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Myc proto-oncogene protein | IC50 | = | 2280.0 | nM | 5.64 | Inhibition of Myc (unknown origin) expressed in HEK293T cells incubated for 16 h... | - |
| NAMALVA | IC50 | = | 12170.0 | nM | 4.92 | Cytotoxicity against human NAMALWA cells assessed as decrease in cell viability ... | - |
| Lymphoma cell line | IC50 | = | 26040.0 | nM | 4.58 | Cytotoxicity against mouse E-mu-Myc lymphoma cells assessed as decrease in cell ... | - |
Data from ChEMBL 36 via Core Engine