| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA5091513
Max Phase: Preclinical
Molecular Formula: C19H14N2O2
Molecular Weight: 302.33
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Oc1ccc(-c2ccc3c(-c4ccc(O)cc4)n[nH]c3c2)cc1
Standard InChI: InChI=1S/C19H14N2O2/c22-15-6-1-12(2-7-15)14-5-10-17-18(11-14)20-21-19(17)13-3-8-16(23)9-4-13/h1-11,22-23H,(H,20,21)
Standard InChI Key: UQFLZQOPBKGNBX-UHFFFAOYSA-N
Associated Targets(Human)
Fibroblast growth factor receptor 2 3405 Activities
Fibroblast growth factor receptor 1 9149 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Fibroblast growth factor receptor 3 7811 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: 302.33 | Molecular Weight (Monoisotopic): 302.1055 | AlogP: 4.31 | #Rotatable Bonds: 2 |
| Polar Surface Area: 69.14 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.28 | CX Basic pKa: 1.78 | CX LogP: 4.37 | CX LogD: 4.36 |
| Aromatic Rings: 4 | Heavy Atoms: 23 | QED Weighted: 0.52 | Np Likeness Score: -0.39 |
References
| 1. Turner LD, Trinh CH, Hubball RA, Orritt KM, Lin CC, Burns JE, Knowles MA, Fishwick CWG.. (2022) From Fragment to Lead: De Novo Design and Development toward a Selective FGFR2 Inhibitor., 65 (2.0): [PMID:34780700] [10.1021/acs.jmedchem.1c01163] |
Source
Source(1):