| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4874677
Max Phase: Preclinical
Molecular Formula: C17H12N4O2
Molecular Weight: 304.31
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(=O)c1ccc(-n2ncc(-c3ccc(C#N)cc3)c2O)nc1
Standard InChI: InChI=1S/C17H12N4O2/c1-11(22)14-6-7-16(19-9-14)21-17(23)15(10-20-21)13-4-2-12(8-18)3-5-13/h2-7,9-10,23H,1H3
Standard InChI Key: IXUXTXINOMLXBT-UHFFFAOYSA-N
Associated Targets(Human)
Hypoxia-inducible factor prolyl hydroxylase 1 404 Activities
Egl nine homolog 1 1702 Activities
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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: 304.31 | Molecular Weight (Monoisotopic): 304.0960 | AlogP: 2.71 | #Rotatable Bonds: 3 |
| Polar Surface Area: 91.80 | Molecular Species: ACID | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.42 | CX Basic pKa: 1.13 | CX LogP: 2.28 | CX LogD: 0.67 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.75 | Np Likeness Score: -1.67 |
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):