| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5182739
Max Phase: Preclinical
Molecular Formula: C18H31N5O5
Molecular Weight: 397.48
Associated Items:
Representations
Canonical SMILES: Cn1oc(=O)n(CCCCCCCCCCCCn2c(=O)on(C)c2=O)c1=N
Standard InChI: InChI=1S/C18H31N5O5/c1-20-15(19)22(17(25)27-20)13-11-9-7-5-3-4-6-8-10-12-14-23-16(24)21(2)28-18(23)26/h19H,3-14H2,1-2H3
Standard InChI Key: LPEVEQZXCPSNIH-UHFFFAOYSA-N
Associated Targets(non-human)
Plasmodium vinckei petteri 380 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 397.48 | Molecular Weight (Monoisotopic): 397.2325 | AlogP: 1.31 | #Rotatable Bonds: 13 |
| Polar Surface Area: 121.06 | Molecular Species: NEUTRAL | HBA: 10 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 10 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 1.05 | CX LogP: 3.79 | CX LogD: 3.79 |
| Aromatic Rings: 2 | Heavy Atoms: 28 | QED Weighted: 0.51 | Np Likeness Score: -0.31 |
References
| 1. Kim SH, Semenya D, Castagnolo D.. (2021) Antimicrobial drugs bearing guanidine moieties: A review., 216 [PMID:33640673] [10.1016/j.ejmech.2021.113293] |
Source
Source(1):