Compound Detail
CHEMBL1593697
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CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3C(O)C12
Basic Information
| ChEMBL ID | CHEMBL1593697 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTUXFHGUHYRDNF-UHFFFAOYSA-N |
3
Targets
11
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
460.4
MW (Da)
-1.24
ALogP
10
HBA
7
HBD
201.8
PSA (Ų)
0.26
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.24
EC50 3 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.24 | 5.5913 | 580.0 | 8 |
| Unchecked CHEMBL612545 | EC50 | 5.06 | 5.06 | 8681.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 4.52 | 4.52 | 29914.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.18 | 4.18 | 65822.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine