| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3942893
Max Phase: Preclinical
Molecular Formula: C24H36N4O2S
Molecular Weight: 444.65
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1c(NS(=O)(=O)c2ccc(CCCC3CCN(C)CC3)cc2)c(CC2CC2)nn1C
Standard InChI: InChI=1S/C24H36N4O2S/c1-18-24(23(25-28(18)3)17-21-7-8-21)26-31(29,30)22-11-9-19(10-12-22)5-4-6-20-13-15-27(2)16-14-20/h9-12,20-21,26H,4-8,13-17H2,1-3H3
Standard InChI Key: KSOHHJIWNDBIBO-UHFFFAOYSA-N
Associated Targets(Human)
Peptide N-myristoyltransferase 1 643 Activities
Associated Targets(non-human)
Glycylpeptide N-tetradecanoyltransferase 506 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Glycylpeptide N-tetradecanoyltransferase 109 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 444.65 | Molecular Weight (Monoisotopic): 444.2559 | AlogP: 4.15 | #Rotatable Bonds: 9 |
| Polar Surface Area: 67.23 | Molecular Species: BASE | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.78 | CX Basic pKa: 9.42 | CX LogP: 2.68 | CX LogD: 2.60 |
| Aromatic Rings: 2 | Heavy Atoms: 31 | QED Weighted: 0.63 | Np Likeness Score: -1.06 |
References
| 1. (2015) N-myristoyl transferase inhibitors, |
Source
Source(1):