| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4533487
Max Phase: Preclinical
Molecular Formula: C27H31F3N4O2
Molecular Weight: 500.57
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2)c2cc([C@]3(O)CC[C@H](C(=O)N(C)C)CC3)ccc2n1
Standard InChI: InChI=1S/C27H31F3N4O2/c1-16(19-6-5-7-21(14-19)27(28,29)30)31-24-22-15-20(8-9-23(22)32-17(2)33-24)26(36)12-10-18(11-13-26)25(35)34(3)4/h5-9,14-16,18,36H,10-13H2,1-4H3,(H,31,32,33)/t16-,18-,26-/m1/s1
Standard InChI Key: SGGUOMGNIKIWMO-LBISXTPBSA-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: 500.57 | Molecular Weight (Monoisotopic): 500.2399 | AlogP: 5.60 | #Rotatable Bonds: 5 |
| Polar Surface Area: 78.35 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 2 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 13.98 | CX Basic pKa: 5.76 | CX LogP: 4.82 | CX LogD: 4.81 |
| Aromatic Rings: 3 | Heavy Atoms: 36 | QED Weighted: 0.48 | Np Likeness Score: -1.06 |
References
| 1. (2018) Novel benzylamino substituted quinazolines and derivatives as sos1 inhibitors, |
Source
Source(1):