| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1705584
Max Phase: Preclinical
Molecular Formula: C21H28N4O5
Molecular Weight: 416.48
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc3c(c2)OCO3)c(=O)[nH]c1=O
Standard InChI: InChI=1S/C21H28N4O5/c1-4-5-9-25-18(22)17(19(26)23-21(25)28)24(10-8-13(2)3)20(27)14-6-7-15-16(11-14)30-12-29-15/h6-7,11,13H,4-5,8-10,12,22H2,1-3H3,(H,23,26,28)
Standard InChI Key: QICPDIHHBVPZKN-UHFFFAOYSA-N
Associated Targets(Human)
Importin subunit beta-1/Snurportin-1 25097 Activities
Guanine nucleotide-binding protein G(s), subunit alpha 103405 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Associated Targets(non-human)
Mitochondrial import inner membrane translocase subunit TIM10 1435 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mitochondrial import inner membrane translocase subunit TIM23 781 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Plasmodium falciparum 966862 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: 416.48 | Molecular Weight (Monoisotopic): 416.2060 | AlogP: 2.34 | #Rotatable Bonds: 8 |
| Polar Surface Area: 119.65 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.20 | CX Basic pKa: | CX LogP: 2.44 | CX LogD: 2.43 |
| Aromatic Rings: 2 | Heavy Atoms: 30 | QED Weighted: 0.68 | Np Likeness Score: -1.37 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):