| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4544012
Max Phase: Preclinical
Molecular Formula: C16H13N3O3S
Molecular Weight: 327.37
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: NS(=O)(=O)c1ccc2c(c1)/C(=N\Nc1ccccc1)C(=O)C=C2
Standard InChI: InChI=1S/C16H13N3O3S/c17-23(21,22)13-8-6-11-7-9-15(20)16(14(11)10-13)19-18-12-4-2-1-3-5-12/h1-10,18H,(H2,17,21,22)/b19-16+
Standard InChI Key: DYIVAMUZFKHCGU-KNTRCKAVSA-N
Associated Targets(Human)
Son of sevenless homolog 1 1023 Activities
Transforming protein p21/H-Ras-1 138 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: 327.37 | Molecular Weight (Monoisotopic): 327.0678 | AlogP: 1.75 | #Rotatable Bonds: 3 |
| Polar Surface Area: 101.62 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.08 | CX Basic pKa: 1.69 | CX LogP: 2.93 | CX LogD: 2.93 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.84 | Np Likeness Score: -0.93 |
References
| 1. (2016) Sos1 inhibitors for cancer treatment, |
Source
Source(1):