| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5278712
Max Phase: Preclinical
Molecular Formula: C24H24N4O2S
Molecular Weight: 432.55
Associated Items:
Representations
Canonical SMILES: CNCc1ccccc1-c1ccc(C(C)Nc2ncnc3cc4c(cc23)OCCO4)s1
Standard InChI: InChI=1S/C24H24N4O2S/c1-15(22-7-8-23(31-22)17-6-4-3-5-16(17)13-25-2)28-24-18-11-20-21(30-10-9-29-20)12-19(18)26-14-27-24/h3-8,11-12,14-15,25H,9-10,13H2,1-2H3,(H,26,27,28)
Standard InChI Key: JNMBSYPCYZSOKW-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: 432.55 | Molecular Weight (Monoisotopic): 432.1620 | AlogP: 5.02 | #Rotatable Bonds: 6 |
| Polar Surface Area: 68.30 | Molecular Species: BASE | HBA: 7 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 9.63 | CX LogP: 4.26 | CX LogD: 2.06 |
| Aromatic Rings: 4 | Heavy Atoms: 31 | QED Weighted: 0.45 | Np Likeness Score: -0.88 |
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):