Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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LOZILUREA
ID: ALA1720937
Max Phase: Phase
Molecular Formula: C10H13ClN2O
Molecular Weight: 212.68
Molecule Type: Small molecule
Associated Items:
ID: ALA1720937
Max Phase: Phase
Molecular Formula: C10H13ClN2O
Molecular Weight: 212.68
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CCNC(=O)NCc1cccc(Cl)c1
Standard InChI: InChI=1S/C10H13ClN2O/c1-2-12-10(14)13-7-8-4-3-5-9(11)6-8/h3-6H,2,7H2,1H3,(H2,12,13,14)
Standard InChI Key: ATMWYLVZVAXVDZ-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: Yes | 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: 212.68 | Molecular Weight (Monoisotopic): 212.0716 | AlogP: 2.16 | #Rotatable Bonds: 3 |
Polar Surface Area: 41.13 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 2 |
#RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.77 | CX LogD: 1.77 |
Aromatic Rings: 1 | Heavy Atoms: 14 | QED Weighted: 0.79 | Np Likeness Score: -2.13 |
1. PubChem BioAssay data set, |
2. USP Dictionary of USAN and International Names (2010 edition) and USAN registrations 2007-date, |
3. PubChem BioAssay data set, |
Source(2):