| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4580136
Max Phase: Preclinical
Molecular Formula: C17H16N2O3S2
Molecular Weight: 360.46
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1sc2nc(SCC(=O)c3ccc(O)c(O)c3)nc(C)c2c1C
Standard InChI: InChI=1S/C17H16N2O3S2/c1-8-10(3)24-16-15(8)9(2)18-17(19-16)23-7-14(22)11-4-5-12(20)13(21)6-11/h4-6,20-21H,7H2,1-3H3
Standard InChI Key: YYQLIDOCLBDSSV-UHFFFAOYSA-N
Associated Targets(Human)
Krueppel-like factor 10 149 Activities
Associated Targets(non-human)
Krueppel-like factor 10 13 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: Unknown | 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: 360.46 | Molecular Weight (Monoisotopic): 360.0602 | AlogP: 4.00 | #Rotatable Bonds: 4 |
| Polar Surface Area: 83.31 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.86 | CX Basic pKa: 2.41 | CX LogP: 4.20 | CX LogD: 4.08 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.32 | Np Likeness Score: -1.52 |
References
| 1. (2017) Use of small molecule inhibitors to klf10 for modulation of t regulatory cells and cancer immunotherapy, |
Source
Source(1):