| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4647969
Max Phase: Preclinical
Molecular Formula: CH6N2
Molecular Weight: 46.07
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: NCN
Standard InChI: InChI=1S/CH6N2/c2-1-3/h1-3H2
Standard InChI Key: RTWNYYOXLSILQN-UHFFFAOYSA-N
Associated Targets(Human)
Mitochondrial amidoxime-reducing component 1 51 Activities
Mitochondrial amidoxime reducing component 2 38 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: Unknown | 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: 46.07 | Molecular Weight (Monoisotopic): 46.0531 | AlogP: -1.14 | #Rotatable Bonds: 0 |
| Polar Surface Area: 52.04 | Molecular Species: BASE | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.56 | CX LogP: -1.31 | CX LogD: -2.51 |
| Aromatic Rings: 0 | Heavy Atoms: 3 | QED Weighted: 0.34 | Np Likeness Score: 0.16 |
References
| 1. Indorf P, Kubitza C, Scheidig AJ, Kunze T, Clement B.. (2020) Drug Metabolism by the Mitochondrial Amidoxime Reducing Component (mARC): Rapid Assay and Identification of New Substrates., 63 (12): [PMID:31790578] [10.1021/acs.jmedchem.9b01483] |
Source
Source(1):