| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2261211
Max Phase: Preclinical
Molecular Formula: C26H28FN3O6
Molecular Weight: 479.51
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1c(N2CCN(C(=O)c3ccccc3)C(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.O
Standard InChI: InChI=1S/C26H26FN3O5.H2O/c1-15-13-28(10-11-29(15)25(32)16-6-4-3-5-7-16)22-20(27)12-18-21(24(22)35-2)30(17-8-9-17)14-19(23(18)31)26(33)34;/h3-7,12,14-15,17H,8-11,13H2,1-2H3,(H,33,34);1H2
Standard InChI Key: UCHMQTHBLUAKHY-UHFFFAOYSA-N
Associated Targets(Human)
Whole blood 398 Activities
Associated Targets(non-human)
Scytonema hofmannii 23 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Shigella sp. 79 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Proteus mirabilis 3894 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Klebsiella pneumoniae 43867 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Shigella flexneri 1836 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Escherichia coli 133304 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Staphylococcus aureus 210822 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Bacillus subtilis 32866 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Pseudomonas aeruginosa 123386 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Citrobacter 156 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Saccharomyces cerevisiae 19171 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Fusarium solani 1274 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Candida albicans 78123 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Trichophyton rubrum 3646 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: 479.51 | Molecular Weight (Monoisotopic): 479.1856 | AlogP: 3.53 | #Rotatable Bonds: 5 |
| Polar Surface Area: 92.08 | Molecular Species: ACID | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 5.80 | CX Basic pKa: | CX LogP: 3.28 | CX LogD: 1.67 |
| Aromatic Rings: 3 | Heavy Atoms: 35 | QED Weighted: 0.60 | Np Likeness Score: -0.73 |
References
| 1. Sultana N, Naz A, Khan B, Arayne MS, Mesaik MA. (2010) Synthesis, characterization, antibacterial, antifungal, and immunomodulating activities of gatifloxacin derivatives, 19 (9): [10.1007/s00044-009-9264-y] |
Source
Source(1):