The store will not work correctly when cookies are disabled.
1-(5-tert-Butyl-2-o-tolyl-2H-pyrazol-3-yl)-3-(4-chlorophenyl)urea
ID: ALA4453392
Chembl Id: CHEMBL4453392
PubChem CID: 18449862
Max Phase: Preclinical
Molecular Formula: C21H23ClN4O
Molecular Weight: 382.89
Molecule Type: Unknown
Associated Items:
Names and Identifiers
Canonical SMILES: Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Cl)cc1
Standard InChI: InChI=1S/C21H23ClN4O/c1-14-7-5-6-8-17(14)26-19(13-18(25-26)21(2,3)4)24-20(27)23-16-11-9-15(22)10-12-16/h5-13H,1-4H3,(H2,23,24,27)
Standard InChI Key: BGAVCFRCTFIKML-UHFFFAOYSA-N
Associated Targets(Human)
Associated Targets(non-human)
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 |
---|
Calculated Properties
Molecular Weight: 382.89 | Molecular Weight (Monoisotopic): 382.1560 | AlogP: 5.78 | #Rotatable Bonds: 3 |
Polar Surface Area: 58.95 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
#RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
CX Acidic pKa: 11.37 | CX Basic pKa: 1.90 | CX LogP: 6.34 | CX LogD: 6.34 |
Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.60 | Np Likeness Score: -2.03 |