| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4853087
Max Phase: Preclinical
Molecular Formula: C18H11N5OS
Molecular Weight: 345.39
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: N#Cc1ccc(-c2cnn(-c3ccc(-c4nccs4)cn3)c2O)cc1
Standard InChI: InChI=1S/C18H11N5OS/c19-9-12-1-3-13(4-2-12)15-11-22-23(18(15)24)16-6-5-14(10-21-16)17-20-7-8-25-17/h1-8,10-11,24H
Standard InChI Key: CMRFDYHBYZRUDW-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: 345.39 | Molecular Weight (Monoisotopic): 345.0684 | AlogP: 3.64 | #Rotatable Bonds: 3 |
| Polar Surface Area: 87.62 | Molecular Species: ACID | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.82 | CX Basic pKa: 2.52 | CX LogP: 3.25 | CX LogD: 1.80 |
| Aromatic Rings: 4 | Heavy Atoms: 25 | QED Weighted: 0.61 | Np Likeness Score: -2.06 |
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):