| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4439572
Max Phase: Preclinical
Molecular Formula: C24H16FN7OS2
Molecular Weight: 501.57
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: N#Cc1cnn(-c2ccccc2)c1NC(=O)CSc1nnc(-c2cccs2)n1-c1ccc(F)cc1
Standard InChI: InChI=1S/C24H16FN7OS2/c25-17-8-10-18(11-9-17)31-23(20-7-4-12-34-20)29-30-24(31)35-15-21(33)28-22-16(13-26)14-27-32(22)19-5-2-1-3-6-19/h1-12,14H,15H2,(H,28,33)
Standard InChI Key: SVWPJSRHDURJGH-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: 501.57 | Molecular Weight (Monoisotopic): 501.0842 | AlogP: 4.92 | #Rotatable Bonds: 7 |
| Polar Surface Area: 101.42 | Molecular Species: NEUTRAL | HBA: 9 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 11.72 | CX Basic pKa: 0.75 | CX LogP: 4.67 | CX LogD: 4.67 |
| Aromatic Rings: 5 | Heavy Atoms: 35 | QED Weighted: 0.32 | Np Likeness Score: -2.96 |
References
| 1. (2018) Methods and compositions for inhibiting cnksr1, |
Source
Source(1):