| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4115106
Max Phase: Preclinical
Molecular Formula: C20H23Cl2N3O2S
Molecular Weight: 440.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(C#CC2CCCCC2)cc1Cl
Standard InChI: InChI=1S/C20H23Cl2N3O2S/c1-13-19(14(2)25(3)23-13)24-28(26,27)20-17(21)11-16(12-18(20)22)10-9-15-7-5-4-6-8-15/h11-12,15,24H,4-8H2,1-3H3
Standard InChI Key: LQOAMYBTSKLKAE-UHFFFAOYSA-N
Associated Targets(non-human)
Glycylpeptide N-tetradecanoyltransferase 506 Activities
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 |
|---|
Properties
| Molecular Weight: 440.40 | Molecular Weight (Monoisotopic): 439.0888 | AlogP: 5.08 | #Rotatable Bonds: 3 |
| Polar Surface Area: 63.99 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 6.76 | CX Basic pKa: 2.90 | CX LogP: 5.02 | CX LogD: 4.46 |
| Aromatic Rings: 2 | Heavy Atoms: 28 | QED Weighted: 0.68 | Np Likeness Score: -1.48 |
References
| 1. (2015) N-myristoyl transferase inhibitors, |
Source
Source(1):