| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4580895
Max Phase: Preclinical
Molecular Formula: C19H17Br2N3O2S
Molecular Weight: 511.24
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1cccc(CC(=O)NNC(=S)NC(=O)/C=C/c2cc(Br)cc(Br)c2)c1
Standard InChI: InChI=1S/C19H17Br2N3O2S/c1-12-3-2-4-13(7-12)10-18(26)23-24-19(27)22-17(25)6-5-14-8-15(20)11-16(21)9-14/h2-9,11H,10H2,1H3,(H,23,26)(H2,22,24,25,27)/b6-5+
Standard InChI Key: UKZDXZJGTMUDFI-AATRIKPKSA-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: 511.24 | Molecular Weight (Monoisotopic): 508.9408 | AlogP: 3.80 | #Rotatable Bonds: 4 |
| Polar Surface Area: 70.23 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 9.64 | CX Basic pKa: | CX LogP: 5.17 | CX LogD: 5.17 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.33 | Np Likeness Score: -1.51 |
References
| 1. (2014) Serine racemase inhibitor, |
Source
Source(1):