| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4536359
Max Phase: Preclinical
Molecular Formula: C26H28F3N7O2
Molecular Weight: 527.55
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1cc2nc(C)nc(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3)c2cc1-c1cnn(CC(=O)N(C)C)c1
Standard InChI: InChI=1S/C26H28F3N7O2/c1-14(16-6-18(26(27,28)29)8-19(30)7-16)32-25-21-9-20(23(38-5)10-22(21)33-15(2)34-25)17-11-31-36(12-17)13-24(37)35(3)4/h6-12,14H,13,30H2,1-5H3,(H,32,33,34)/t14-/m1/s1
Standard InChI Key: AWBHJIIZCTZQKW-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: 527.55 | Molecular Weight (Monoisotopic): 527.2257 | AlogP: 4.67 | #Rotatable Bonds: 7 |
| Polar Surface Area: 111.19 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 9 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 6.22 | CX LogP: 3.37 | CX LogD: 3.34 |
| Aromatic Rings: 4 | Heavy Atoms: 38 | QED Weighted: 0.34 | Np Likeness Score: -1.64 |
References
| 1. (2018) Novel benzylamino substituted quinazolines and derivatives as sos1 inhibitors, |
Source
Source(1):