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6-((2-Aminopyridin-4-yl)methoxy)-N-cyclohexylbenzo[d]thiazol-2-amine ID: ALA4777344
Chembl Id: CHEMBL4777344
PubChem CID: 135157043
Max Phase: Preclinical
Molecular Formula: C19H22N4OS
Molecular Weight: 354.48
Molecule Type: Unknown
Associated Items:
Names and Identifiers Canonical SMILES: Nc1cc(COc2ccc3nc(NC4CCCCC4)sc3c2)ccn1
Standard InChI: InChI=1S/C19H22N4OS/c20-18-10-13(8-9-21-18)12-24-15-6-7-16-17(11-15)25-19(23-16)22-14-4-2-1-3-5-14/h6-11,14H,1-5,12H2,(H2,20,21)(H,22,23)
Standard InChI Key: BATXRTAHHWFDOX-UHFFFAOYSA-N
Associated Targets(Human) Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: UnknownTopical: 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: 354.48Molecular Weight (Monoisotopic): 354.1514AlogP: 4.60#Rotatable Bonds: 5Polar Surface Area: 73.06Molecular Species: NEUTRALHBA: 6HBD: 2#RO5 Violations: ┄HBA (Lipinski): 5HBD (Lipinski): 3#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: 6.70CX LogP: 4.18CX LogD: 4.11Aromatic Rings: 3Heavy Atoms: 25QED Weighted: 0.70Np Likeness Score: -1.15
References 1. Czako B,Marszalek JR,Burke JP,Mandal P,Leonard PG,Cross JB,Mseeh F,Jiang Y,Chang EQ,Suzuki E,Kovacs JJ,Feng N,Gera S,Harris AL,Liu Z,Mullinax RA,Pang J,Parker CA,Spencer ND,Yu SS,Wu Q,Tremblay MR,Mikule K,Wilcoxen K,Heffernan TP,Draetta GF,Jones P. (2020) Discovery of IACS-9439, a Potent, Exquisitely Selective, and Orally Bioavailable Inhibitor of CSF1R., 63 (17): [PMID:32787110 ] [10.1021/acs.jmedchem.0c00936 ]