| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3923351
Max Phase: Preclinical
Molecular Formula: C14H13NO3S
Molecular Weight: 275.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1=CC(=O)C=C(C)C1=NS(=O)(=O)c1ccccc1
Standard InChI: InChI=1S/C14H13NO3S/c1-10-8-12(16)9-11(2)14(10)15-19(17,18)13-6-4-3-5-7-13/h3-9H,1-2H3
Standard InChI Key: KRIZULSDJWTLNC-UHFFFAOYSA-N
Associated Targets(Human)
N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 231 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: 275.33 | Molecular Weight (Monoisotopic): 275.0616 | AlogP: 2.29 | #Rotatable Bonds: 2 |
| Polar Surface Area: 63.57 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 0.13 | CX LogP: 2.97 | CX LogD: 2.97 |
| Aromatic Rings: 1 | Heavy Atoms: 19 | QED Weighted: 0.78 | Np Likeness Score: -0.54 |
References
| 1. (2014) Dimethylarginine Dimethylaminohydrolase inhibitors and methods of use thereof, |
Source
Source(1):