| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4460510
Max Phase: Preclinical
Molecular Formula: C25H28F3N3O2
Molecular Weight: 459.51
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2C)c2cc([C@]3(O)CC[C@@H](O)CC3)ccc2n1
Standard InChI: InChI=1S/C25H28F3N3O2/c1-14-19(5-4-6-21(14)25(26,27)28)15(2)29-23-20-13-17(7-8-22(20)30-16(3)31-23)24(33)11-9-18(32)10-12-24/h4-8,13,15,18,32-33H,9-12H2,1-3H3,(H,29,30,31)/t15-,18-,24+/m1/s1
Standard InChI Key: QTDYRMCGEYQZQM-RGNVDHMSSA-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: 459.51 | Molecular Weight (Monoisotopic): 459.2134 | AlogP: 5.56 | #Rotatable Bonds: 4 |
| Polar Surface Area: 78.27 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.95 | CX Basic pKa: 5.76 | CX LogP: 5.04 | CX LogD: 5.03 |
| Aromatic Rings: 3 | Heavy Atoms: 33 | QED Weighted: 0.48 | Np Likeness Score: -0.52 |
References
| 1. (2018) Novel benzylamino substituted quinazolines and derivatives as sos1 inhibitors, |
Source
Source(1):