| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2262501
Max Phase: Preclinical
Molecular Formula: C24H24N2O3
Molecular Weight: 388.47
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1c(COc2ccccc2)oc2cccc(OCCNCc3cccnc3)c12
Standard InChI: InChI=1S/C24H24N2O3/c1-18-23(17-28-20-8-3-2-4-9-20)29-22-11-5-10-21(24(18)22)27-14-13-26-16-19-7-6-12-25-15-19/h2-12,15,26H,13-14,16-17H2,1H3
Standard InChI Key: VFVCQCZZZCJETE-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: 388.47 | Molecular Weight (Monoisotopic): 388.1787 | AlogP: 4.88 | #Rotatable Bonds: 9 |
| Polar Surface Area: 56.52 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.47 | CX LogP: 4.12 | CX LogD: 3.01 |
| Aromatic Rings: 4 | Heavy Atoms: 29 | QED Weighted: 0.41 | Np Likeness Score: -0.71 |
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):