Compound Detail
CHEMBL7643
SULOFENUR 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL7643 |
| Name | SULOFENUR |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | JQJSFAJISYZPER-UHFFFAOYSA-N |
7
Targets
10
Activities
1
Assay Types
0
PK Parameters
20
Publications
3
Known Names
Molecular Properties
350.8
MW (Da)
3.34
ALogP
3
HBA
2
HBD
75.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 10 meas. best 4.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 4.95 | 4.695 | 11340.0 | 2 |
| SK-MEL-2 CHEMBL614917 | IC50 | 4.89 | 4.89 | 12910.0 | 1 |
| K562 CHEMBL385 | IC50 | 4.72 | 4.51 | 19200.0 | 2 |
| COLO 205 CHEMBL614561 | IC50 | 4.64 | 4.64 | 23060.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.5 | 4.5 | 31400.0 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 4.11 | 4.11 | 78200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 11340.0 | nM | 4.95 | In vitro cytotoxic activity against human lung carcinoma A549 cell line | - |
| SK-MEL-2 | IC50 | = | 12910.0 | nM | 4.89 | In vitro cytotoxic activity against human melanoma SK-MEL-2 cell line | - |
| K562 | IC50 | = | 19200.0 | nM | 4.72 | Anticancer activity against human K562 cells by MTT assay | 21570750 |
| COLO 205 | IC50 | = | 23060.0 | nM | 4.64 | Anticancer activity against human COLO205 cells by MTT assay | 21570750 |
| CCRF-CEM | IC50 | = | 32000.0 | nM | 4.5 | Cytotoxicity against CCRF-CEM lymphocytic leukemia cell line | 10476861 |
| NON-PROTEIN TARGET | IC50 | = | 31400.0 | nM | 4.5 | Anticancer activity against human KATO III cells by MTT assay | 21570750 |
| A549 | IC50 | = | 36430.0 | nM | 4.44 | Cytotoxicity against human lung carcinoma A549 cell line using MTT assay | 9873387 |
| K562 | IC50 | = | 50080.0 | nM | 4.3 | Cytotoxicity against human chronic myelogenous leukemia (K562) cell line using M... | 9873387 |
| SK-OV-3 | IC50 | = | 78200.0 | nM | 4.11 | Anticancer activity against human SKOV3 cells by MTT assay | 21570750 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15646539 | 10.1016/s0399-8320(04)95062-2 | Unchecked | 11 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | NON-PROTEIN TARGET | 8 |
| 21570750 | 10.1016/j.ejmech.2011.04.042 | NON-PROTEIN TARGET | 2 |
| 9083492 | 10.1021/jm960673l | Mus musculus | 2 |
| 2391684 | 10.1021/jm00171a013 | CA-755 | 1 |
| 2391684 | 10.1021/jm00171a013 | M109 | 1 |
| 2391684 | 10.1021/jm00171a013 | B16 | 1 |
| 2391684 | 10.1021/jm00171a013 | X5563 | 1 |
| 2391684 | 10.1021/jm00171a013 | M-5 | 1 |
| 2391684 | 10.1021/jm00171a013 | Colon 26 | 1 |
| 2391684 | 10.1021/jm00171a013 | C3H | 1 |
| 9873387 | 10.1016/s0960-894x(98)00261-3 | A549 | 1 |
| 2391684 | 10.1021/jm00171a013 | 6C3HED | 1 |
| 2391684 | 10.1021/jm00171a013 | Rattus norvegicus | 1 |
| 2391684 | 10.1021/jm00171a013 | CCRF-CEM | 1 |
| 2391684 | 10.1021/jm00171a013 | ADMET | 1 |
| - | 10.1016/0960-894X(96)00463-5 | SK-MEL-2 | 1 |
| - | 10.1016/0960-894X(96)00463-5 | A549 | 1 |
| 10476861 | 10.1016/s0960-894x(99)00373-x | CCRF-CEM | 1 |
| 9873387 | 10.1016/s0960-894x(98)00261-3 | SK-OV-3 | 1 |
Data from ChEMBL 36 via Core Engine