| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA107859
Max Phase: Preclinical
Molecular Formula: C16H30N4O7
Molecular Weight: 198.31
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC/N=C(/CC)NN/C(CC)=N/CC.O=C(O)CC(O)(CC(=O)O)C(=O)O
Standard InChI: InChI=1S/C10H22N4.C6H8O7/c1-5-9(11-7-3)13-14-10(6-2)12-8-4;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-8H2,1-4H3,(H,11,13)(H,12,14);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
Standard InChI Key: DWAQWFPHOCDAKV-UHFFFAOYSA-N
Associated Targets(non-human)
Acanthocheilonema viteae 418 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: 198.31 | Molecular Weight (Monoisotopic): 198.1844 | AlogP: 1.74 | #Rotatable Bonds: 4 |
| Polar Surface Area: 48.78 | Molecular Species: BASE | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.77 | CX LogP: 1.21 | CX LogD: -2.38 |
| Aromatic Rings: 0 | Heavy Atoms: 14 | QED Weighted: 0.41 | Np Likeness Score: -0.41 |
References
| 1. Srivastava SK, Chauhan PM, Bhaduri AP, Murthy PK, Chatterjee RK.. (2000) Secondary amines as new pharmacophores for macrofilaricidal drug design., 10 (4): [PMID:10714488] [10.1016/s0960-894x(99)00687-3] |
Source
Source(1):