| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4540165
Max Phase: Preclinical
Molecular Formula: C26H28F3N3O3
Molecular Weight: 487.52
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(=O)O[C@H]1CC[C@](O)(c2ccc3nc(C)nc(N[C@H](C)c4cccc(C(F)(F)F)c4)c3c2)CC1
Standard InChI: InChI=1S/C26H28F3N3O3/c1-15(18-5-4-6-20(13-18)26(27,28)29)30-24-22-14-19(7-8-23(22)31-16(2)32-24)25(34)11-9-21(10-12-25)35-17(3)33/h4-8,13-15,21,34H,9-12H2,1-3H3,(H,30,31,32)/t15-,21-,25+/m1/s1
Standard InChI Key: HUYHXYPWGPJHPM-RFHMVHFQSA-N
Associated Targets(Human)
Son of sevenless homolog 1 1023 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: 487.52 | Molecular Weight (Monoisotopic): 487.2083 | AlogP: 5.82 | #Rotatable Bonds: 5 |
| Polar Surface Area: 84.34 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.98 | CX Basic pKa: 5.76 | CX LogP: 4.95 | CX LogD: 4.94 |
| Aromatic Rings: 3 | Heavy Atoms: 35 | QED Weighted: 0.44 | Np Likeness Score: -0.50 |
References
| 1. (2018) Novel benzylamino substituted quinazolines and derivatives as sos1 inhibitors, |
Source
Source(1):