Compound Detail
CHEMBL1975801
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
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2C1c1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL1975801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCDIWWXMGHCGSL-UDWIEESQSA-N |
7
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
543.0
MW (Da)
2.92
ALogP
9
HBA
1
HBD
116.4
PSA (Ų)
0.43
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.99
EC50 3 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 5.3 | 5.3 | 4996.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.01 | 5.01 | 9794.0 | 1 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 4.99 | 4.99 | 10200.0 | 1 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 4.93 | 4.93 | 11700.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.88 | 4.88 | 13210.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 4.6 | 4.6 | 25100.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.34 | 4.34 | 45510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 4996.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 9794.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 10200.0 | nM | 4.99 | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen... | - |
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 11700.0 | nM | 4.93 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
| Streptococcus | EC50 | = | 13210.0 | nM | 4.88 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Prothrombin | IC50 | = | 25100.0 | nM | 4.6 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
| Unchecked | IC50 | = | 45510.0 | nM | 4.34 | PUBCHEM_BIOASSAY: A Cell Based HTS Approach for the Discovery of New Inhibitors ... | - |
Data from ChEMBL 36 via Core Engine