Compound Detail
CHEMBL4442536
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
NCCCN1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL4442536 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCUNAYIXNWISRQ-DZOOLQPHSA-N |
| Parent Compound | CHEMBL4596813 |
| Active Moiety | CHEMBL4596813 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
3.69
ALogP
7
HBA
2
HBD
105.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Myc proto-oncogene protein CHEMBL1250348 | IC50 | 5.19 | 5.19 | 6520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Myc proto-oncogene protein | IC50 | = | 6520.0 | nM | 5.19 | Inhibition of Myc (unknown origin) expressed in HEK293T cells incubated for 16 h... | - |
Data from ChEMBL 36 via Core Engine