The store will not work correctly when cookies are disabled.
SID24817885
ID: ALA1602894
Chembl Id: CHEMBL1602894
Cas Number: 478079-57-1
PubChem CID: 1485319
Max Phase: Preclinical
Molecular Formula: C16H18FN3
Molecular Weight: 271.34
Molecule Type: Small molecule
Associated Items:
Names and Identifiers
Canonical SMILES: Nc1ccc(N2CCN(c3ccccc3)CC2)c(F)c1
Standard InChI: InChI=1S/C16H18FN3/c17-15-12-13(18)6-7-16(15)20-10-8-19(9-11-20)14-4-2-1-3-5-14/h1-7,12H,8-11,18H2
Standard InChI Key: NNYKASCGRBDZRI-UHFFFAOYSA-N
Associated Targets(Human)
Associated Targets(non-human)
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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 |
|---|
Calculated Properties
| Molecular Weight: 271.34 | Molecular Weight (Monoisotopic): 271.1485 | AlogP: 2.73 | #Rotatable Bonds: 2 |
| Polar Surface Area: 32.50 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: 4.85 | CX LogP: 3.13 | CX LogD: 3.13 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.85 | Np Likeness Score: -1.48 |
References
| 1. PubChem BioAssay data set, |
