Compound Detail
CHEMBL1627201
L-SULFORAPHANE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL1627201 |
| Name | L-SULFORAPHANE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | SUVMJBTUFCVSAD-JTQLQIEISA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
1
Known Names
1
Indications
Molecular Properties
177.3
MW (Da)
1.25
ALogP
3
HBA
0
HBD
35.4
PSA (Ų)
0.27
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Unknown |
Indications
Pulmonary Disease, Chronic Obstructive
Activity Summary
IC50 5 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage migration inhibitory factor CHEMBL4524037 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 5.01 | 5.01 | 9770.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.92 | 4.92 | 12100.0 | 1 |
| Macrophage migration inhibitory factor CHEMBL2085 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage migration inhibitory factor | IC50 | = | 4400.0 | nM | 5.36 | Inhibition of recombinant rat MIF expressed in Escherichia coli BL21 (DE3) asses... | 21168764 |
| ADMET | IC50 | = | 9770.0 | nM | 5.01 | Cytotoxicity against mouse Hepa-1c1c7 cells after 48 hrs by crystal violet stain... | 16378361 |
| NON-PROTEIN TARGET | IC50 | = | 12100.0 | nM | 4.92 | Cytotoxicity against mouse Hepa-1c1c7 cells | 23895019 |
| Macrophage migration inhibitory factor | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of [3H]-BTZO-1 binding to recombinant human C-terminal His-tagged MIF... | 21168764 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23895019 | 10.1021/np400567c | Unchecked | 2 |
| 21168764 | 10.1016/j.chembiol.2010.10.011 | Macrophage migration inhibitory factor | 2 |
| 12190320 | 10.1021/jm0201518 | Trypanosoma cruzi | 1 |
| 16378361 | 10.1021/np050383k | Quinone oxidoreductase | 1 |
| 16378361 | 10.1021/np050383k | ADMET | 1 |
| 16378361 | 10.1021/np050383k | Unchecked | 1 |
| 23895019 | 10.1021/np400567c | NON-PROTEIN TARGET | 1 |
| 23837912 | 10.1021/jm400224q | NAD(P)H dehydrogenase [quinone] 1 | 1 |
| 21168764 | 10.1016/j.chembiol.2010.10.011 | Antioxidant response element | 1 |
Data from ChEMBL 36 via Core Engine