| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA259439
Max Phase: Preclinical
Molecular Formula: C19H27NO3
Molecular Weight: 317.43
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCc1ccc(C(=O)N[C@H]2CCOC2=O)cc1
Standard InChI: InChI=1S/C19H27NO3/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18(21)20-17-13-14-23-19(17)22/h9-12,17H,2-8,13-14H2,1H3,(H,20,21)/t17-/m0/s1
Standard InChI Key: UJECEXXINCSRHV-KRWDZBQOSA-N
Associated Targets(non-human)
PhzR 76 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: 317.43 | Molecular Weight (Monoisotopic): 317.1991 | AlogP: 3.63 | #Rotatable Bonds: 9 |
| Polar Surface Area: 55.40 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.40 | CX LogD: 4.40 |
| Aromatic Rings: 1 | Heavy Atoms: 23 | QED Weighted: 0.56 | Np Likeness Score: -0.16 |
References
| 1. Mattmann ME, Geske GD, Worzalla GA, Chandler JR, Sappington KJ, Greenberg EP, Blackwell HE.. (2008) Synthetic ligands that activate and inhibit a quorum-sensing regulator in Pseudomonas aeruginosa., 18 (10): [PMID:18083553] [10.1016/j.bmcl.2007.11.095] |
Source
Source(1):