| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4436096
Max Phase: Preclinical
Molecular Formula: C30H32N4O2
Molecular Weight: 480.61
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1cccc([C@@H](C)Nc2nc(C)nc3cc(C)c(-c4ccc(C(=O)N5CCOCC5)cc4)cc23)c1
Standard InChI: InChI=1S/C30H32N4O2/c1-19-6-5-7-25(16-19)21(3)31-29-27-18-26(20(2)17-28(27)32-22(4)33-29)23-8-10-24(11-9-23)30(35)34-12-14-36-15-13-34/h5-11,16-18,21H,12-15H2,1-4H3,(H,31,32,33)/t21-/m1/s1
Standard InChI Key: AGMBUPICHWEOJW-OAQYLSRUSA-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: 480.61 | Molecular Weight (Monoisotopic): 480.2525 | AlogP: 5.87 | #Rotatable Bonds: 5 |
| Polar Surface Area: 67.35 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 6.25 | CX LogP: 5.87 | CX LogD: 5.85 |
| Aromatic Rings: 4 | Heavy Atoms: 36 | QED Weighted: 0.39 | Np Likeness Score: -1.46 |
References
| 1. (2018) Novel benzylamino substituted quinazolines and derivatives as sos1 inhibitors, |
Source
Source(1):