ID: ALA4856011
Chembl Id: CHEMBL4856011
PubChem CID: 122653618
Max Phase: Preclinical
Molecular Formula: C25H22FN3O2
Molecular Weight: 415.47
Molecule Type: Unknown
Associated Items:
Canonical SMILES: O=C(NCCF)c1cccc2c1CCN2c1cc(Cc2ccc3occc3c2)ccn1
Standard InChI: InChI=1S/C25H22FN3O2/c26-9-11-28-25(30)21-2-1-3-22-20(21)7-12-29(22)24-16-18(6-10-27-24)14-17-4-5-23-19(15-17)8-13-31-23/h1-6,8,10,13,15-16H,7,9,11-12,14H2,(H,28,30)
Standard InChI Key: ORYLKWNYSUECTF-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 415.47 | Molecular Weight (Monoisotopic): 415.1696 | AlogP: 4.81 | #Rotatable Bonds: 6 |
| Polar Surface Area: 58.37 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: 5.58 | CX LogP: 4.58 | CX LogD: 4.57 |
| Aromatic Rings: 4 | Heavy Atoms: 31 | QED Weighted: 0.49 | Np Likeness Score: -0.71 |
| 1. (2020) 1-heteroaryl-indoline-4-carboxamides as modulators of gpr52 useful for the treatment or prevention of disorders related thereto, |
Source(1):
