Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA1208864
Max Phase: Preclinical
Molecular Formula: C20H18N2O
Molecular Weight: 302.38
Molecule Type: Small molecule
Associated Items:
ID: ALA1208864
Max Phase: Preclinical
Molecular Formula: C20H18N2O
Molecular Weight: 302.38
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: Cc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1C
Standard InChI: InChI=1S/C20H18N2O/c1-14-7-8-16(11-15(14)2)13-21-22-20(23)19-10-9-17-5-3-4-6-18(17)12-19/h3-13H,1-2H3,(H,22,23)/b21-13+
Standard InChI Key: MHRKDYLWSMFQKG-FYJGNVAPSA-N
Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
Chirality: No | Availability: No | Prodrug: No |
MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Molecular Weight: 302.38 | Molecular Weight (Monoisotopic): 302.1419 | AlogP: 4.22 | #Rotatable Bonds: 3 |
Polar Surface Area: 41.46 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
#RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
CX Acidic pKa: 10.67 | CX Basic pKa: 2.31 | CX LogP: 4.98 | CX LogD: 4.98 |
Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.57 | Np Likeness Score: -1.49 |
1. Lee S, Jung KY, Park J, Cho JH, Kim YC, Chang S.. (2010) Synthesis of potent chemical inhibitors of dynamin GTPase., 20 (16): [PMID:20621477] [10.1016/j.bmcl.2010.06.092] |
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