| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2262492
Max Phase: Preclinical
Molecular Formula: C22H24N2O4
Molecular Weight: 380.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOC(=O)c1oc2cccc(OCCNCc3cccnc3)c2c1C1CC1
Standard InChI: InChI=1S/C22H24N2O4/c1-2-26-22(25)21-19(16-8-9-16)20-17(6-3-7-18(20)28-21)27-12-11-24-14-15-5-4-10-23-13-15/h3-7,10,13,16,24H,2,8-9,11-12,14H2,1H3
Standard InChI Key: MKDPXPFXOQKDMP-UHFFFAOYSA-N
Associated Targets(non-human)
Peptide N-myristoyltransferase 1 193 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: 380.44 | Molecular Weight (Monoisotopic): 380.1736 | AlogP: 4.05 | #Rotatable Bonds: 9 |
| Polar Surface Area: 73.59 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.47 | CX LogP: 3.18 | CX LogD: 2.07 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.45 | Np Likeness Score: -0.69 |
References
| 1. Deokar HS, Puranik P, Kulkarni VM. (2009) QSAR analysis of N-myristoyltransferase inhibitors: antifungal activity of benzofurans, 18 (3): [10.1007/s00044-008-9120-5] |
Source
Source(1):