| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3718301
Max Phase: Preclinical
Molecular Formula: C32H26ClNO5
Molecular Weight: 540.02
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1c(C(=O)N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)O)oc2cc(-c3ccc(Cl)cc3)ccc12
Standard InChI: InChI=1S/C32H26ClNO5/c1-20-27-16-11-24(23-9-12-25(33)13-10-23)18-29(27)39-30(20)31(35)34-28(32(36)37)17-21-7-14-26(15-8-21)38-19-22-5-3-2-4-6-22/h2-16,18,28H,17,19H2,1H3,(H,34,35)(H,36,37)/t28-/m0/s1
Standard InChI Key: ULUVAGMIDCDIJH-NDEPHWFRSA-N
Associated Targets(Human)
Probable G-protein coupled receptor 34 197 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: 540.02 | Molecular Weight (Monoisotopic): 539.1500 | AlogP: 7.07 | #Rotatable Bonds: 9 |
| Polar Surface Area: 88.77 | Molecular Species: ACID | HBA: 4 | HBD: 2 |
| #RO5 Violations: 2 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 4.25 | CX Basic pKa: | CX LogP: 7.16 | CX LogD: 4.16 |
| Aromatic Rings: 5 | Heavy Atoms: 39 | QED Weighted: 0.21 | Np Likeness Score: -0.62 |
References
| 1. (2010) Regulating agent of GPR34 receptor function, |
Source
Source(1):