| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3966865
Max Phase: Preclinical
Molecular Formula: C9H11N4O3+
Molecular Weight: 223.21
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: NC(=O)NC(=O)C[n+]1ccc(C(N)=O)cc1
Standard InChI: InChI=1S/C9H10N4O3/c10-8(15)6-1-3-13(4-2-6)5-7(14)12-9(11)16/h1-4H,5H2,(H4-,10,11,12,14,15,16)/p+1
Standard InChI Key: SKPXSZYYGFGWLX-UHFFFAOYSA-O
Associated Targets(non-human)
Biliverdin-producing heme oxygenase 120 Activities
Heme oxygenase 252 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 |
|---|
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: 223.21 | Molecular Weight (Monoisotopic): 223.0826 | AlogP: -1.73 | #Rotatable Bonds: 3 |
| Polar Surface Area: 119.16 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.17 | CX Basic pKa: | CX LogP: -6.01 | CX LogD: -6.01 |
| Aromatic Rings: 1 | Heavy Atoms: 16 | QED Weighted: 0.53 | Np Likeness Score: -1.29 |
References
| 1. (2013) Heme oxygenase inhibitors, screening methods for heme oxygenase inhibitors and methods of use of heme oxygenase inhibitors for antimicrobial therapy, |
Source
Source(1):