| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5094891
Max Phase: Preclinical
Molecular Formula: C19H16ClNO3S
Molecular Weight: 373.86
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1ccc2c(n1)CC[C@@H]2Oc1cc(Cl)c2c(CC(=O)O)csc2c1
Standard InChI: InChI=1S/C19H16ClNO3S/c1-10-2-3-13-15(21-10)4-5-16(13)24-12-7-14(20)19-11(6-18(22)23)9-25-17(19)8-12/h2-3,7-9,16H,4-6H2,1H3,(H,22,23)/t16-/m0/s1
Standard InChI Key: JMXYPCSJFHUSFS-INIZCTEOSA-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: 373.86 | Molecular Weight (Monoisotopic): 373.0539 | AlogP: 4.95 | #Rotatable Bonds: 4 |
| Polar Surface Area: 59.42 | Molecular Species: ACID | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.28 | CX Basic pKa: 5.94 | CX LogP: 2.37 | CX LogD: 1.09 |
| Aromatic Rings: 3 | Heavy Atoms: 25 | QED Weighted: 0.70 | Np Likeness Score: -0.49 |
References
| 1. (2019) Ghrelin o-acyltransferase inhibitors, |
Source
Source(1):