| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4585028
Max Phase: Preclinical
Molecular Formula: C16H17Cl2N3O3S
Molecular Weight: 402.30
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1ccc(S(=O)(=O)NCCNC(=O)Nc2ccc(Cl)cc2Cl)cc1
Standard InChI: InChI=1S/C16H17Cl2N3O3S/c1-11-2-5-13(6-3-11)25(23,24)20-9-8-19-16(22)21-15-7-4-12(17)10-14(15)18/h2-7,10,20H,8-9H2,1H3,(H2,19,21,22)
Standard InChI Key: AIJDNHWEAOPJGK-UHFFFAOYSA-N
Associated Targets(Human)
Serine racemase 249 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 402.30 | Molecular Weight (Monoisotopic): 401.0368 | AlogP: 3.40 | #Rotatable Bonds: 6 |
| Polar Surface Area: 87.30 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.39 | CX Basic pKa: | CX LogP: 3.45 | CX LogD: 3.45 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.65 | Np Likeness Score: -2.25 |
References
| 1. (2014) Serine racemase inhibitor, |
Source
Source(1):