| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4570224
Max Phase: Preclinical
Molecular Formula: C24H21F3N6O
Molecular Weight: 466.47
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2)c2cc(-c3cc4n(n3)CCC(=O)N4)ccc2n1
Standard InChI: InChI=1S/C24H21F3N6O/c1-13(15-4-3-5-17(10-15)24(25,26)27)28-23-18-11-16(6-7-19(18)29-14(2)30-23)20-12-21-31-22(34)8-9-33(21)32-20/h3-7,10-13H,8-9H2,1-2H3,(H,31,34)(H,28,29,30)/t13-/m1/s1
Standard InChI Key: CECIVSLVPOCOEX-CYBMUJFWSA-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: 466.47 | Molecular Weight (Monoisotopic): 466.1729 | AlogP: 5.34 | #Rotatable Bonds: 4 |
| Polar Surface Area: 84.73 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.17 | CX Basic pKa: 5.63 | CX LogP: 4.74 | CX LogD: 4.73 |
| Aromatic Rings: 4 | Heavy Atoms: 34 | QED Weighted: 0.42 | Np Likeness Score: -1.49 |
References
| 1. (2018) Novel benzylamino substituted quinazolines and derivatives as sos1 inhibitors, |
Source
Source(1):