| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4867184
Max Phase: Preclinical
Molecular Formula: C16H12N4O3S
Molecular Weight: 340.36
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CS(=O)(=O)c1ccc(-n2ncc(-c3ccc(C#N)cc3)c2O)nc1
Standard InChI: InChI=1S/C16H12N4O3S/c1-24(22,23)13-6-7-15(18-9-13)20-16(21)14(10-19-20)12-4-2-11(8-17)3-5-12/h2-7,9-10,21H,1H3
Standard InChI Key: HWIJDKSHKWCERJ-UHFFFAOYSA-N
Associated Targets(Human)
Hypoxia-inducible factor prolyl hydroxylase 1 404 Activities
Egl nine homolog 1 1702 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Egl nine homolog 3 250 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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: 340.36 | Molecular Weight (Monoisotopic): 340.0630 | AlogP: 1.92 | #Rotatable Bonds: 3 |
| Polar Surface Area: 108.87 | Molecular Species: ACID | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.81 | CX Basic pKa: 1.12 | CX LogP: 1.57 | CX LogD: -0.04 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.78 | Np Likeness Score: -1.99 |
References
| 1. Sabnis RW.. (2021) Novel Compounds as PHD Inhibitors for Treating Heart, Lung, Liver, and Kidney Diseases., 12 (12.0): [PMID:34917238] [10.1021/acsmedchemlett.1c00570] |
Source
Source(1):