| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4566188
Max Phase: Preclinical
Molecular Formula: C18H15N5O3S3
Molecular Weight: 445.55
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=S(=O)(Nc1n[nH]c(SCc2ccc(O)cc2)n1)c1ccc(-c2ccccn2)s1
Standard InChI: InChI=1S/C18H15N5O3S3/c24-13-6-4-12(5-7-13)11-27-18-20-17(21-22-18)23-29(25,26)16-9-8-15(28-16)14-3-1-2-10-19-14/h1-10,24H,11H2,(H2,20,21,22,23)
Standard InChI Key: WIDKOHFXXLXMBH-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: 445.55 | Molecular Weight (Monoisotopic): 445.0337 | AlogP: 3.73 | #Rotatable Bonds: 7 |
| Polar Surface Area: 120.86 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.51 | CX Basic pKa: 3.07 | CX LogP: 4.15 | CX LogD: 3.44 |
| Aromatic Rings: 4 | Heavy Atoms: 29 | QED Weighted: 0.37 | Np Likeness Score: -1.98 |
References
| 1. (2018) Methods and compositions for inhibiting cnksr1, |
Source
Source(1):