| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4527350
Max Phase: Preclinical
Molecular Formula: C16H13N3O3S3
Molecular Weight: 391.50
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CSc1sc(C#N)c(C)c1-c1ccn(S(=O)(=O)c2ccc(O)cc2)n1
Standard InChI: InChI=1S/C16H13N3O3S3/c1-10-14(9-17)24-16(23-2)15(10)13-7-8-19(18-13)25(21,22)12-5-3-11(20)4-6-12/h3-8,20H,1-2H3
Standard InChI Key: YSEMZNQAEULHLG-UHFFFAOYSA-N
Associated Targets(Human)
Connector enhancer of kinase suppressor of ras 1 225 Activities
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: 391.50 | Molecular Weight (Monoisotopic): 391.0119 | AlogP: 3.46 | #Rotatable Bonds: 4 |
| Polar Surface Area: 95.98 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.14 | CX Basic pKa: | CX LogP: 4.01 | CX LogD: 3.94 |
| Aromatic Rings: 3 | Heavy Atoms: 25 | QED Weighted: 0.68 | Np Likeness Score: -1.20 |
References
| 1. (2018) Methods and compositions for inhibiting cnksr1, |
Source
Source(1):