| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3924504
Max Phase: Preclinical
Molecular Formula: C28H38N4O2S
Molecular Weight: 494.71
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1c(NS(=O)(=O)c2ccc(-c3cccc(C(C)(C)N4CCCC4)c3)cc2)c(CC(C)C)nn1C
Standard InChI: InChI=1S/C28H38N4O2S/c1-20(2)18-26-27(21(3)31(6)29-26)30-35(33,34)25-14-12-22(13-15-25)23-10-9-11-24(19-23)28(4,5)32-16-7-8-17-32/h9-15,19-20,30H,7-8,16-18H2,1-6H3
Standard InChI Key: YJEDXBAVBHENKZ-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: 494.71 | Molecular Weight (Monoisotopic): 494.2715 | AlogP: 5.73 | #Rotatable Bonds: 8 |
| Polar Surface Area: 67.23 | Molecular Species: BASE | HBA: 5 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 6.66 | CX Basic pKa: 10.00 | CX LogP: 3.99 | CX LogD: 3.93 |
| Aromatic Rings: 3 | Heavy Atoms: 35 | QED Weighted: 0.43 | Np Likeness Score: -1.26 |
References
| 1. (2015) N-myristoyl transferase inhibitors, |
Source
Source(1):