| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1495858
Max Phase: Preclinical
Molecular Formula: C25H29N3O6S
Molecular Weight: 499.59
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccccc1N(CC(=O)NC1CCCC1)C(=O)C[S+]([O-])CC(=O)Nc1ccc2c(c1)OCO2
Standard InChI: InChI=1S/C25H29N3O6S/c1-17-6-2-5-9-20(17)28(13-23(29)26-18-7-3-4-8-18)25(31)15-35(32)14-24(30)27-19-10-11-21-22(12-19)34-16-33-21/h2,5-6,9-12,18H,3-4,7-8,13-16H2,1H3,(H,26,29)(H,27,30)
Standard InChI Key: WIMIVCJZTWXEFT-UHFFFAOYSA-N
Associated Targets(non-human)
Zinc aminopeptidase 902 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: 499.59 | Molecular Weight (Monoisotopic): 499.1777 | AlogP: 2.50 | #Rotatable Bonds: 9 |
| Polar Surface Area: 120.03 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.01 | CX Basic pKa: | CX LogP: 1.58 | CX LogD: 1.57 |
| Aromatic Rings: 2 | Heavy Atoms: 35 | QED Weighted: 0.51 | Np Likeness Score: -1.26 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):