Compound Detail
CHEMBL1819181
CYCLOTRIAZADISULFONAMIDE HYDROCHLORIDE 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
C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(Cc2ccccc2)CCCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl
Basic Information
| ChEMBL ID | CHEMBL1819181 |
| Name | CYCLOTRIAZADISULFONAMIDE HYDROCHLORIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITNHTGZJQXEGQP-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1852155 |
| Active Moiety | CHEMBL1852155 |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
581.8
MW (Da)
4.84
ALogP
5
HBA
0
HBD
78.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| T-cell surface glycoprotein CD4 CHEMBL2754 | IC50 | 6.48 | 6.48 | 330.0 | 1 |
| CHO CHEMBL613853 | IC50 | 6.25 | 6.25 | 560.0 | 2 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 5.78 | 5.78 | 1680.0 | 1 |
| HEK-293T CHEMBL3706568 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| T-cell surface glycoprotein CD4 | IC50 | = | 330.0 | nM | 6.48 | Binding affinity to signal peptide of human CD4-YFP expressed in CHO-K1 cells as... | 33181479 |
| CHO | IC50 | = | 560.0 | nM | 6.25 | Downmodulation of human CD4 expressed in CHO cells transfected with CD4-YFP cons... | 21800875 |
| CHO | IC50 | = | 562.34 | nM | 6.25 | Downmodulation of human CD4 expressed in CHO cells transfected with CD4-YFP cons... | 21800875 |
| Human immunodeficiency virus 1 | IC50 | = | 1680.0 | nM | 5.78 | Antiviral activity against HIV-1 NL4-3 infected in human MT-4 cells assessed as ... | 33181479 |
| HEK-293T | IC50 | = | 2200.0 | nM | 5.66 | Down modulation of sortilin expression in HEK293T cells tranfected with GFP-tagg... | 34428050 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21800875 | 10.1021/jm2002603 | CHO | 2 |
| 33181479 | 10.1016/j.bmc.2020.115816 | No relevant target | 2 |
| 34428050 | 10.1021/acs.jmedchem.1c00943 | HEK-293T | 2 |
| 34428050 | 10.1021/acs.jmedchem.1c00943 | Unchecked | 2 |
| 33181479 | 10.1016/j.bmc.2020.115816 | T-cell surface glycoprotein CD4 | 1 |
| 33181479 | 10.1016/j.bmc.2020.115816 | Human immunodeficiency virus 1 | 1 |
| 33181479 | 10.1016/j.bmc.2020.115816 | MT4 | 1 |
| 34428050 | 10.1021/acs.jmedchem.1c00943 | No relevant target | 1 |
| 34428050 | 10.1021/acs.jmedchem.1c00943 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine