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N''-[(3S)-3-(5-fluoro-2-methylphenyl)-8-methyl-3,4-dihydronaphthalen-1(2H)-ylidene]carbonohydrazonic diamide ID: ALA3900790
Chembl Id: CHEMBL3900790
PubChem CID: 134134106
Max Phase: Preclinical
Molecular Formula: C19H21FN4
Molecular Weight: 324.40
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: Cc1ccc(F)cc1[C@@H]1C/C(=N\N=C(N)N)c2c(C)cccc2C1
Standard InChI: InChI=1S/C19H21FN4/c1-11-6-7-15(20)10-16(11)14-8-13-5-3-4-12(2)18(13)17(9-14)23-24-19(21)22/h3-7,10,14H,8-9H2,1-2H3,(H4,21,22,24)/b23-17+/t14-/m0/s1
Standard InChI Key: UYWUYWVHLMJGJO-WYOZQYPVSA-N
Associated Targets(Human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: 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: 324.40Molecular Weight (Monoisotopic): 324.1750AlogP: 3.15#Rotatable Bonds: 2Polar Surface Area: 76.76Molecular Species: NEUTRALHBA: 2HBD: 2#RO5 Violations: ┄HBA (Lipinski): 4HBD (Lipinski): 4#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: 5.87CX LogP: 3.69CX LogD: 3.68Aromatic Rings: 2Heavy Atoms: 24QED Weighted: 0.51Np Likeness Score: -0.43
References 1. (2013) Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders, 2. (2016) Nhe3-binding compounds and methods for inhibiting phosphate transport,