The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
1-Methylcyclopropyl syn-9-[[6-[(2-chloro-4-cyanophenyl)amino]-5-fluoro-4-pyrimidinyl]oxy]-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate ID: ALA4159767
Chembl Id: CHEMBL4159767
PubChem CID: 145957126
Max Phase: Preclinical
Molecular Formula: C23H23ClFN5O4
Molecular Weight: 487.92
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: CC1(OC(=O)N2C[C@H]3COC[C@@H](C2)[C@@H]3Oc2ncnc(Nc3ccc(C#N)cc3Cl)c2F)CC1
Standard InChI: InChI=1S/C23H23ClFN5O4/c1-23(4-5-23)34-22(31)30-8-14-10-32-11-15(9-30)19(14)33-21-18(25)20(27-12-28-21)29-17-3-2-13(7-26)6-16(17)24/h2-3,6,12,14-15,19H,4-5,8-11H2,1H3,(H,27,28,29)/t14-,15+,19+
Standard InChI Key: GGGQAINRVWEOJV-QWHZDKJVSA-N
Associated Targets(Human) Associated Targets(non-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: 487.92Molecular Weight (Monoisotopic): 487.1423AlogP: 3.90#Rotatable Bonds: 5Polar Surface Area: 109.60Molecular Species: NEUTRALHBA: 8HBD: 1#RO5 Violations: ┄HBA (Lipinski): 9HBD (Lipinski): 1#RO5 Violations (Lipinski): ┄CX Acidic pKa: 10.25CX Basic pKa: 2.59CX LogP: 3.51CX LogD: 3.51Aromatic Rings: 2Heavy Atoms: 34QED Weighted: 0.68Np Likeness Score: -0.75
References 1. Neelamkavil SF, Stamford AW, Kowalski T, Biswas D, Boyle C, Chackalamannil S, Xia Y, Jayne C, Neustadt B, Hao J, Liu H, Dai X, Baker H, Hawes B, O'Neill K, Tang H, Greenlee WJ.. (2018) Discovery of MK-8282 as a Potent G-Protein-Coupled Receptor 119 Agonist for the Treatment of Type 2 Diabetes., 9 (5): [PMID:29795759 ] [10.1021/acsmedchemlett.8b00073 ]