| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5279204
Max Phase: Preclinical
Molecular Formula: C19H14ClNO2
Molecular Weight: 323.78
Associated Items:
Representations
Canonical SMILES: O=C(O)c1c(C2CC2)nc2ccc(Cl)cc2c1-c1ccccc1
Standard InChI: InChI=1S/C19H14ClNO2/c20-13-8-9-15-14(10-13)16(11-4-2-1-3-5-11)17(19(22)23)18(21-15)12-6-7-12/h1-5,8-10,12H,6-7H2,(H,22,23)
Standard InChI Key: OKOHKZNRTKWMBM-UHFFFAOYSA-N
Associated Targets(Human)
Fatty acid binding protein adipocyte 764 Activities
Fatty acid binding protein epidermal 323 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: | 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: 323.78 | Molecular Weight (Monoisotopic): 323.0713 | AlogP: 5.13 | #Rotatable Bonds: 3 |
| Polar Surface Area: 50.19 | Molecular Species: ACID | HBA: 2 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 2.48 | CX Basic pKa: 4.16 | CX LogP: 4.38 | CX LogD: 1.65 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.73 | Np Likeness Score: -0.53 |
References
| 1. Floresta G, Pistarà V, Amata E, Dichiara M, Marrazzo A, Prezzavento O, Rescifina A.. (2017) Adipocyte fatty acid binding protein 4 (FABP4) inhibitors. A comprehensive systematic review., 138 [PMID:28738306] [10.1016/j.ejmech.2017.07.022] |
Source
Source(1):