| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA5273577
Max Phase: Preclinical
Molecular Formula: C18H18ClNO4S
Molecular Weight: 379.87
Associated Items:
Representations
Canonical SMILES: Cc1cc(S(=O)(=O)N2CC(C(=O)O)Cc3ccccc32)cc(C)c1Cl
Standard InChI: InChI=1S/C18H18ClNO4S/c1-11-7-15(8-12(2)17(11)19)25(23,24)20-10-14(18(21)22)9-13-5-3-4-6-16(13)20/h3-8,14H,9-10H2,1-2H3,(H,21,22)
Standard InChI Key: MUNUILOGTNVRGZ-UHFFFAOYSA-N
Associated Targets(Human)
MCL1 Tchem Induced myeloid leukemia cell differentiation protein Mcl-1 (3820 Activities)
A-375 (9258 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 379.87 | Molecular Weight (Monoisotopic): 379.0645 | AlogP: 3.41 | #Rotatable Bonds: 3 |
| Polar Surface Area: 74.68 | Molecular Species: ACID | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.80 | CX Basic pKa: | CX LogP: 4.18 | CX LogD: 0.92 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.89 | Np Likeness Score: -1.21 |
References
| 1. Wan Y, Fang G, Chen H, Deng X, Tang Z.. (2021) Sulfonamide derivatives as potential anti-cancer agents and their SARs elucidation., 226 [PMID:34530384] [10.1016/j.ejmech.2021.113837] |
Source
Source(1):