| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4867675
Max Phase: Preclinical
Molecular Formula: C18H17N2NaO2
Molecular Weight: 294.35
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC[C@@H](C)Nc1cc2cc(C(=O)[O-])ccc2c2cnccc12.[Na+]
Standard InChI: InChI=1S/C18H18N2O2.Na/c1-3-11(2)20-17-9-13-8-12(18(21)22)4-5-14(13)16-10-19-7-6-15(16)17;/h4-11,20H,3H2,1-2H3,(H,21,22);/q;+1/p-1/t11-;/m1./s1
Standard InChI Key: SRUBUBRFJNWBTD-RFVHGSKJSA-M
Associated Targets(Human)
Homeodomain-interacting protein kinase 2 1644 Activities
Casein kinase II alpha 3512 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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 294.35 | Molecular Weight (Monoisotopic): 294.1368 | AlogP: 4.30 | #Rotatable Bonds: 4 |
| Polar Surface Area: 62.22 | Molecular Species: ACID | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 2.68 | CX Basic pKa: 5.13 | CX LogP: 2.02 | CX LogD: 0.05 |
| Aromatic Rings: 3 | Heavy Atoms: 22 | QED Weighted: 0.70 | Np Likeness Score: -0.49 |
References
| 1. (2020) Anti-cancer/anti-fibrosis compounds, |
Source
Source(1):