| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
AMINOCHROME
ID: ALA1743210
Max Phase: Preclinical
Molecular Formula: C8H7NO2
Molecular Weight: 149.15
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): Aminochrome
Synonyms from Alternative Forms(1):
Canonical SMILES: O=C1C=C2CCNC2=CC1=O
Standard InChI: InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h3-4,9H,1-2H2
Standard InChI Key: XDEURYRPQDIBSL-UHFFFAOYSA-N
Associated Targets(Human)
Glutathione S-transferase Mu 2 77 Activities
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: 149.15 | Molecular Weight (Monoisotopic): 149.0477 | AlogP: -0.06 | #Rotatable Bonds: 0 |
| Polar Surface Area: 46.17 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 0.22 | CX LogD: 0.22 |
| Aromatic Rings: 0 | Heavy Atoms: 11 | QED Weighted: 0.39 | Np Likeness Score: 1.41 |
References
| 1. (2008) Casarett and Doull's Toxicology The Basic Science of Poisons, 7th edition, |
Source
Source(1):