| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4513298
Max Phase: Preclinical
Molecular Formula: C24H25F4N3O2
Molecular Weight: 463.48
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2F)c2cc([C@]3(O)CC[C@H](O)CC3)ccc2n1
Standard InChI: InChI=1S/C24H25F4N3O2/c1-13(17-4-3-5-19(21(17)25)24(26,27)28)29-22-18-12-15(6-7-20(18)30-14(2)31-22)23(33)10-8-16(32)9-11-23/h3-7,12-13,16,32-33H,8-11H2,1-2H3,(H,29,30,31)/t13-,16-,23-/m1/s1
Standard InChI Key: JBJQVINNHLYPLR-DBOTXTLRSA-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: 463.48 | Molecular Weight (Monoisotopic): 463.1883 | AlogP: 5.39 | #Rotatable Bonds: 4 |
| Polar Surface Area: 78.27 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.95 | CX Basic pKa: 5.76 | CX LogP: 4.68 | CX LogD: 4.68 |
| Aromatic Rings: 3 | Heavy Atoms: 33 | QED Weighted: 0.45 | Np Likeness Score: -0.63 |
References
| 1. (2018) Novel benzylamino substituted quinazolines and derivatives as sos1 inhibitors, |
Source
Source(1):