| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4546387
Max Phase: Preclinical
Molecular Formula: C25H26F3N7O
Molecular Weight: 497.53
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1nc(N[C@H](C)c2cc(N)cc(C(F)(F)F)c2)c2cc(-c3cnn(CC(=O)N(C)C)c3)ccc2n1
Standard InChI: InChI=1S/C25H26F3N7O/c1-14(17-7-19(25(26,27)28)10-20(29)8-17)31-24-21-9-16(5-6-22(21)32-15(2)33-24)18-11-30-35(12-18)13-23(36)34(3)4/h5-12,14H,13,29H2,1-4H3,(H,31,32,33)/t14-/m1/s1
Standard InChI Key: KEQHWBPACQMDFK-CQSZACIVSA-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: 497.53 | Molecular Weight (Monoisotopic): 497.2151 | AlogP: 4.66 | #Rotatable Bonds: 6 |
| Polar Surface Area: 101.96 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.70 | CX LogP: 3.56 | CX LogD: 3.55 |
| Aromatic Rings: 4 | Heavy Atoms: 36 | QED Weighted: 0.38 | Np Likeness Score: -1.81 |
References
| 1. (2018) Novel benzylamino substituted quinazolines and derivatives as sos1 inhibitors, |
Source
Source(1):