| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4862940
Max Phase: Preclinical
Molecular Formula: C19H15N5O2
Molecular Weight: 345.36
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: N#Cc1ccc(-c2cnn(-c3ccc(N4CCCC4=O)cn3)c2O)cc1
Standard InChI: InChI=1S/C19H15N5O2/c20-10-13-3-5-14(6-4-13)16-12-22-24(19(16)26)17-8-7-15(11-21-17)23-9-1-2-18(23)25/h3-8,11-12,26H,1-2,9H2
Standard InChI Key: FQPCDARDFGDSKP-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 |
|---|
Egl nine homolog 3 250 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: 345.36 | Molecular Weight (Monoisotopic): 345.1226 | AlogP: 2.64 | #Rotatable Bonds: 3 |
| Polar Surface Area: 95.04 | Molecular Species: ACID | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.83 | CX Basic pKa: 1.15 | CX LogP: 2.05 | CX LogD: 0.44 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.79 | Np Likeness Score: -1.83 |
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):