| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4459409
Max Phase: Preclinical
Molecular Formula: C25H25F3N6O
Molecular Weight: 482.51
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2)c2cc(-c3cnn(CC(=O)N(C)C)c3)ccc2n1
Standard InChI: InChI=1S/C25H25F3N6O/c1-15(17-6-5-7-20(10-17)25(26,27)28)30-24-21-11-18(8-9-22(21)31-16(2)32-24)19-12-29-34(13-19)14-23(35)33(3)4/h5-13,15H,14H2,1-4H3,(H,30,31,32)/t15-/m1/s1
Standard InChI Key: LBOKQOKPSZZUOL-OAHLLOKOSA-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: 482.51 | Molecular Weight (Monoisotopic): 482.2042 | AlogP: 5.08 | #Rotatable Bonds: 6 |
| Polar Surface Area: 75.94 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 5.70 | CX LogP: 4.34 | CX LogD: 4.33 |
| Aromatic Rings: 4 | Heavy Atoms: 35 | QED Weighted: 0.41 | Np Likeness Score: -1.97 |
References
| 1. (2018) Novel benzylamino substituted quinazolines and derivatives as sos1 inhibitors, |
Source
Source(1):