| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4446100
Max Phase: Preclinical
Molecular Formula: C24H29N3O
Molecular Weight: 375.52
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1cccc([C@@H](C)Nc2nc(C)nc3ccc([C@H]4CC[C@H](O)CC4)cc23)c1
Standard InChI: InChI=1S/C24H29N3O/c1-15-5-4-6-19(13-15)16(2)25-24-22-14-20(18-7-10-21(28)11-8-18)9-12-23(22)26-17(3)27-24/h4-6,9,12-14,16,18,21,28H,7-8,10-11H2,1-3H3,(H,25,26,27)/t16-,18-,21-/m1/s1
Standard InChI Key: HRDUTIYDCFBYSY-HGHGUNKESA-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: 375.52 | Molecular Weight (Monoisotopic): 375.2311 | AlogP: 5.44 | #Rotatable Bonds: 4 |
| Polar Surface Area: 58.04 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 5.89 | CX LogP: 5.44 | CX LogD: 5.42 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.64 | Np Likeness Score: -0.88 |
References
| 1. (2018) Novel benzylamino substituted quinazolines and derivatives as sos1 inhibitors, |
Source
Source(1):