| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5280579
Max Phase: Preclinical
Molecular Formula: C25H26N4O3S
Molecular Weight: 462.58
Associated Items:
Representations
Canonical SMILES: CC(Nc1ncnc2cc3c(cc12)OCCO3)c1ccc(-c2ccccc2CNCCO)s1
Standard InChI: InChI=1S/C25H26N4O3S/c1-16(23-6-7-24(33-23)18-5-3-2-4-17(18)14-26-8-9-30)29-25-19-12-21-22(32-11-10-31-21)13-20(19)27-15-28-25/h2-7,12-13,15-16,26,30H,8-11,14H2,1H3,(H,27,28,29)
Standard InChI Key: RDKIXAZGJHBSIJ-UHFFFAOYSA-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: | 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: 462.58 | Molecular Weight (Monoisotopic): 462.1726 | AlogP: 4.38 | #Rotatable Bonds: 8 |
| Polar Surface Area: 88.53 | Molecular Species: BASE | HBA: 8 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.12 | CX LogP: 3.57 | CX LogD: 1.85 |
| Aromatic Rings: 4 | Heavy Atoms: 33 | QED Weighted: 0.33 | Np Likeness Score: -0.90 |
References
| 1. Jiang H, Fan Y, Wang X, Wang J, Yang H, Fan W, Tang C.. (2023) Design, synthesis and biological evaluation of quinazoline SOS1 inhibitors., 88 [PMID:37011767] [10.1016/j.bmcl.2023.129265] |
Source
Source(1):