| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3188442
Max Phase: Preclinical
Molecular Formula: C26H35Cl2N3O3
Molecular Weight: 508.49
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(N(C)C)ccc2O[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1
Standard InChI: InChI=1S/C26H35Cl2N3O3/c1-17-13-31(18(2)16-32)26(33)12-20-11-21(29(3)4)7-9-24(20)34-25(17)15-30(5)14-19-6-8-22(27)23(28)10-19/h6-11,17-18,25,32H,12-16H2,1-5H3/t17-,18-,25-/m1/s1
Standard InChI Key: HRJWZMGFKMCORO-QJMRKGMQSA-N
Associated Targets(Human)
Fibroblast growth factor 22 464 Activities
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 |
|---|
Properties
| Molecular Weight: 508.49 | Molecular Weight (Monoisotopic): 507.2055 | AlogP: 4.34 | #Rotatable Bonds: 7 |
| Polar Surface Area: 56.25 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 8.06 | CX LogP: 4.31 | CX LogD: 3.56 |
| Aromatic Rings: 2 | Heavy Atoms: 34 | QED Weighted: 0.60 | Np Likeness Score: -0.65 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):