| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA391338
Max Phase: Preclinical
Molecular Formula: C18H26N4O2
Molecular Weight: 330.43
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc2nc(OC(C)C)cc(NC3(CCCN)CC3)c2n1
Standard InChI: InChI=1S/C18H26N4O2/c1-12(2)24-16-11-14(22-18(8-9-18)7-4-10-19)17-13(20-16)5-6-15(21-17)23-3/h5-6,11-12H,4,7-10,19H2,1-3H3,(H,20,22)
Standard InChI Key: KAGGEKQCFLLOOX-UHFFFAOYSA-N
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Mus musculus (284745 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Plasmodium berghei (192651 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Plasmodium yoelii nigeriensis (1119 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mastomys coucha (34 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: 330.43 | Molecular Weight (Monoisotopic): 330.2056 | AlogP: 3.11 | #Rotatable Bonds: 8 |
| Polar Surface Area: 82.29 | Molecular Species: BASE | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.20 | CX LogP: 2.59 | CX LogD: -0.02 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.77 | Np Likeness Score: -0.58 |
References
| 1. Zhu S, Zhang Q, Gudise C, Meng L, Wei L, Smith E, Kong Y.. (2007) Synthesis and evaluation of naphthyridine compounds as antimalarial agents., 17 (22): [PMID:17900897] [10.1016/j.bmcl.2007.09.044] |
Source
Source(1):