| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5184469
Max Phase: Preclinical
Molecular Formula: C29H34FNO2
Molecular Weight: 447.59
Associated Items:
Representations
Canonical SMILES: COc1ccc2c(c1-c1cc(C)c(O)c(F)c1)CCN(C(C)c1ccc(C(C)C)cc1)[C@@H]2C
Standard InChI: InChI=1S/C29H34FNO2/c1-17(2)21-7-9-22(10-8-21)19(4)31-14-13-25-24(20(31)5)11-12-27(33-6)28(25)23-15-18(3)29(32)26(30)16-23/h7-12,15-17,19-20,32H,13-14H2,1-6H3/t19?,20-/m1/s1
Standard InChI Key: IEOUFSBPBRXHCU-GFOWMXPYSA-N
Associated Targets(Human)
Gastric inhibitory polypeptide receptor 542 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 447.59 | Molecular Weight (Monoisotopic): 447.2574 | AlogP: 7.32 | #Rotatable Bonds: 5 |
| Polar Surface Area: 32.70 | Molecular Species: BASE | HBA: 3 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 8.32 | CX Basic pKa: 8.94 | CX LogP: 6.94 | CX LogD: 6.33 |
| Aromatic Rings: 3 | Heavy Atoms: 33 | QED Weighted: 0.44 | Np Likeness Score: -0.10 |
References
| 1. Sabnis RW.. (2022) Novel 6-Methoxy-3,4-dihydro-1H-isoquinoline Compounds for Treating Diabetes., 13 (6.0): [PMID:35707151] [10.1021/acsmedchemlett.2c00220] |
Source
Source(1):