| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2360006
Max Phase: Preclinical
Molecular Formula: C28H35Cl2N3O4
Molecular Weight: 548.51
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)C3CC3)ccc2O[C@H]1CN(C)Cc1ccc(Cl)c(Cl)c1
Standard InChI: InChI=1S/C28H35Cl2N3O4/c1-17-13-33(18(2)16-34)27(35)12-21-11-22(31-28(36)20-5-6-20)7-9-25(21)37-26(17)15-32(3)14-19-4-8-23(29)24(30)10-19/h4,7-11,17-18,20,26,34H,5-6,12-16H2,1-3H3,(H,31,36)/t17-,18+,26+/m1/s1
Standard InChI Key: HSZCUBFTTZDVGX-ZENTWMBTSA-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: 548.51 | Molecular Weight (Monoisotopic): 547.2005 | AlogP: 4.62 | #Rotatable Bonds: 8 |
| Polar Surface Area: 82.11 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 7.99 | CX LogP: 4.22 | CX LogD: 3.53 |
| Aromatic Rings: 2 | Heavy Atoms: 37 | QED Weighted: 0.50 | Np Likeness Score: -1.03 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):