| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5092225
Max Phase: Preclinical
Molecular Formula: C19H14Cl2F3NO3S
Molecular Weight: 464.29
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COC(=O)Cc1csc2c(Cl)c(OCc3ccc(C(F)(F)F)nc3C)cc(Cl)c12
Standard InChI: InChI=1S/C19H14Cl2F3NO3S/c1-9-10(3-4-14(25-9)19(22,23)24)7-28-13-6-12(20)16-11(5-15(26)27-2)8-29-18(16)17(13)21/h3-4,6,8H,5,7H2,1-2H3
Standard InChI Key: CMHUWNDVCBLROJ-UHFFFAOYSA-N
Associated Targets(Human)
Ghrelin O-acyltransferase 125 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: 464.29 | Molecular Weight (Monoisotopic): 463.0024 | AlogP: 6.22 | #Rotatable Bonds: 5 |
| Polar Surface Area: 48.42 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 1.84 | CX LogP: 5.59 | CX LogD: 5.59 |
| Aromatic Rings: 3 | Heavy Atoms: 29 | QED Weighted: 0.42 | Np Likeness Score: -1.16 |
References
| 1. (2017) Aromatic ring compound as ghrelin o-acyltransferase inhibitor, |
Source
Source(1):