| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3960681
Max Phase: Preclinical
Molecular Formula: C15H14ClNO3S
Molecular Weight: 323.80
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1=CC(=O)C(Cl)=C(C)/C1=N/S(=O)(=O)c1ccc(C)cc1
Standard InChI: InChI=1S/C15H14ClNO3S/c1-9-4-6-12(7-5-9)21(19,20)17-15-10(2)8-13(18)14(16)11(15)3/h4-8H,1-3H3/b17-15+
Standard InChI Key: SAJWEFDWBNSIOU-BMRADRMJSA-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: 323.80 | Molecular Weight (Monoisotopic): 323.0383 | AlogP: 3.17 | #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: | CX LogP: 3.88 | CX LogD: 3.88 |
| Aromatic Rings: 1 | Heavy Atoms: 21 | QED Weighted: 0.79 | Np Likeness Score: -0.45 |
References
| 1. (2014) Dimethylarginine Dimethylaminohydrolase inhibitors and methods of use thereof, |
Source
Source(1):