| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4115646
Max Phase: Preclinical
Molecular Formula: C22H28N4O5S
Molecular Weight: 460.56
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cc(NCc2ccc(S(=O)(=O)Nc3c(C)nn(C)c3C)cc2)cc(OC)c1OC
Standard InChI: InChI=1S/C22H28N4O5S/c1-14-21(15(2)26(3)24-14)25-32(27,28)18-9-7-16(8-10-18)13-23-17-11-19(29-4)22(31-6)20(12-17)30-5/h7-12,23,25H,13H2,1-6H3
Standard InChI Key: WKQCXFWSAGRYJQ-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: 460.56 | Molecular Weight (Monoisotopic): 460.1780 | AlogP: 3.48 | #Rotatable Bonds: 9 |
| Polar Surface Area: 103.71 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.69 | CX Basic pKa: 4.19 | CX LogP: 1.94 | CX LogD: 1.36 |
| Aromatic Rings: 3 | Heavy Atoms: 32 | QED Weighted: 0.50 | Np Likeness Score: -1.45 |
References
| 1. (2015) N-myristoyl transferase inhibitors, |
Source
Source(1):