| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA565032
Max Phase: Preclinical
Molecular Formula: C15H12Cl2O2
Molecular Weight: 295.17
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)Cc1ccccc1Cc1c(Cl)cccc1Cl
Standard InChI: InChI=1S/C15H12Cl2O2/c16-13-6-3-7-14(17)12(13)8-10-4-1-2-5-11(10)9-15(18)19/h1-7H,8-9H2,(H,18,19)
Standard InChI Key: JJQADDQPQKGVLH-UHFFFAOYSA-N
Associated Targets(Human)
Interleukin-8 642 Activities
Associated Targets(non-human)
L1.2 32 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
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Properties
| Molecular Weight: 295.17 | Molecular Weight (Monoisotopic): 294.0214 | AlogP: 4.21 | #Rotatable Bonds: 4 |
| Polar Surface Area: 37.30 | Molecular Species: ACID | HBA: 1 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.04 | CX Basic pKa: | CX LogP: 4.91 | CX LogD: 1.78 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.92 | Np Likeness Score: -0.23 |
References
| 1. Sablone MR, Cesta MC, Moriconi A, Aramini A, Bizzarri C, Di Giacinto C, Di Bitondo R, Gloaguen I, Aschi M, Crucianelli M, Bertini R, Allegretti M.. (2009) Structure-Activity Relationship of novel phenylacetic CXCR1 inhibitors., 19 (15): [PMID:19560921] [10.1016/j.bmcl.2009.06.027] |
Source
Source(1):