Compound Detail
CHEMBL83148
PHENYL(PHENYLSULFONYL)AMINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL83148 |
| Name | PHENYL(PHENYLSULFONYL)AMINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XAUGWFWQVYXATQ-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
233.3
MW (Da)
2.49
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 3.22
IC50 2 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-1 receptor antagonist protein CHEMBL4523191 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Endoplasmic reticulum aminopeptidase 1 CHEMBL5939 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Kelch-like ECH-associated protein 1 CHEMBL2069156 | Kd | 3.22 | 3.09 | 600000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-1 receptor antagonist protein | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of IRAP (unknown origin) using L-pNA as substrate | 39011823 |
| Endoplasmic reticulum aminopeptidase 1 | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of ERAP1 (unknown origin) using L-pNA as susbtrate | 39011823 |
| Kelch-like ECH-associated protein 1 | Kd | = | 600000.0 | nM | 3.22 | Binding affinity to human recombinant His-tagged Keap1 Kelch domain (321 to 609 ... | 33818106 |
| Kelch-like ECH-associated protein 1 | Kd | = | 1100000.0 | nM | 2.96 | Binding affinity to human recombinant His-tagged Keap1 Kelch domain (321 to 609 ... | 33818106 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33818106 | 10.1021/acs.jmedchem.0c02094 | Kelch-like ECH-associated protein 1 | 3 |
| 15456240 | 10.1021/jm0496234 | A549 | 2 |
| 18316193 | 10.1016/j.bmc.2008.02.031 | LNCaP | 2 |
| 10411471 | 10.1021/jm990073x | Serine/threonine-protein kinase mTOR | 1 |
| 15582440 | 10.1016/j.bmcl.2004.10.032 | No relevant target | 1 |
| 16046126 | 10.1016/j.bmcl.2005.05.136 | ADMET | 1 |
| 18316193 | 10.1016/j.bmc.2008.02.031 | PC-3 | 1 |
| 12596866 | 10.1271/bbb.66.2677 | Botrytis cinerea | 1 |
| 12596866 | 10.1271/bbb.66.2677 | Rhizoctonia solani | 1 |
| 12596866 | 10.1271/bbb.66.2677 | Phytophthora capsici | 1 |
| 12596866 | 10.1271/bbb.66.2677 | Globisporangium ultimum | 1 |
| 39011823 | 10.1021/acs.jmedchem.4c00840 | Endoplasmic reticulum aminopeptidase 1 | 1 |
| 39011823 | 10.1021/acs.jmedchem.4c00840 | Interleukin-1 receptor antagonist protein | 1 |
Data from ChEMBL 36 via Core Engine