| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5093321
Max Phase: Preclinical
Molecular Formula: C18H12Cl3NO3S
Molecular Weight: 428.72
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(O)Cc1csc2c(Cl)c(O[C@@H]3CCc4nc(Cl)ccc43)cc(Cl)c12
Standard InChI: InChI=1S/C18H12Cl3NO3S/c19-10-6-13(17(21)18-16(10)8(7-26-18)5-15(23)24)25-12-3-2-11-9(12)1-4-14(20)22-11/h1,4,6-7,12H,2-3,5H2,(H,23,24)/t12-/m1/s1
Standard InChI Key: WKIOHESALCKCRZ-GFCCVEGCSA-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: 428.72 | Molecular Weight (Monoisotopic): 426.9603 | AlogP: 5.95 | #Rotatable Bonds: 4 |
| Polar Surface Area: 59.42 | Molecular Species: ACID | HBA: 4 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 4.11 | CX Basic pKa: 1.24 | CX LogP: 5.29 | CX LogD: 2.19 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.52 | Np Likeness Score: -0.43 |
References
| 1. (2019) Ghrelin o-acyltransferase inhibitors, |
Source
Source(1):