| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3182237
Max Phase: Preclinical
Molecular Formula: C22H29BrN2O6S2
Molecular Weight: 561.52
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3cc(Br)ccc3S(=O)(=O)N([C@H](C)CO)C[C@@H]2C)cc1
Standard InChI: InChI=1S/C22H29BrN2O6S2/c1-15-5-8-19(9-6-15)32(27,28)24(4)13-21-16(2)12-25(17(3)14-26)33(29,30)22-10-7-18(23)11-20(22)31-21/h5-11,16-17,21,26H,12-14H2,1-4H3/t16-,17+,21+/m0/s1
Standard InChI Key: MKFDRGBJPDLEFY-CSODHUTKSA-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: 561.52 | Molecular Weight (Monoisotopic): 560.0650 | AlogP: 2.85 | #Rotatable Bonds: 6 |
| Polar Surface Area: 104.22 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.16 | CX LogD: 3.16 |
| Aromatic Rings: 2 | Heavy Atoms: 33 | QED Weighted: 0.58 | Np Likeness Score: -0.77 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):