| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4563461
Max Phase: Preclinical
Molecular Formula: C24H27F3N4O
Molecular Weight: 444.50
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1nc(N[C@H](C)c2cc(N)cc(C(F)(F)F)c2)c2cc([C@H]3CC[C@H](O)CC3)ccc2n1
Standard InChI: InChI=1S/C24H27F3N4O/c1-13(17-9-18(24(25,26)27)12-19(28)10-17)29-23-21-11-16(15-3-6-20(32)7-4-15)5-8-22(21)30-14(2)31-23/h5,8-13,15,20,32H,3-4,6-7,28H2,1-2H3,(H,29,30,31)/t13-,15-,20-/m1/s1
Standard InChI Key: QLINYNLUSPOOLN-WAWZGNHOSA-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: 444.50 | Molecular Weight (Monoisotopic): 444.2137 | AlogP: 5.73 | #Rotatable Bonds: 4 |
| Polar Surface Area: 84.06 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 5.89 | CX LogP: 5.03 | CX LogD: 5.02 |
| Aromatic Rings: 3 | Heavy Atoms: 32 | QED Weighted: 0.45 | Np Likeness Score: -0.88 |
References
| 1. (2018) Novel benzylamino substituted quinazolines and derivatives as sos1 inhibitors, |
Source
Source(1):