Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA1563064
Max Phase: Preclinical
Molecular Formula: C10H8ClNO
Molecular Weight: 193.63
Molecule Type: Small molecule
Associated Items:
ID: ALA1563064
Max Phase: Preclinical
Molecular Formula: C10H8ClNO
Molecular Weight: 193.63
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: Cc1cccc2c(Cl)cc(O)nc12
Standard InChI: InChI=1S/C10H8ClNO/c1-6-3-2-4-7-8(11)5-9(13)12-10(6)7/h2-5H,1H3,(H,12,13)
Standard InChI Key: LIKQTOQMZQQNTH-UHFFFAOYSA-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: 193.63 | Molecular Weight (Monoisotopic): 193.0294 | AlogP: 2.90 | #Rotatable Bonds: 0 |
Polar Surface Area: 33.12 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
#RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
CX Acidic pKa: 11.04 | CX Basic pKa: 0.82 | CX LogP: 3.54 | CX LogD: 3.54 |
Aromatic Rings: 2 | Heavy Atoms: 13 | QED Weighted: 0.70 | Np Likeness Score: -1.34 |
1. PubChem BioAssay data set, |
Source(1):