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4-(5-fluoroindolin-1-yl)-5H-pyrrolo[3,2-d]pyrimidine ID: ALA5183411
Chembl Id: CHEMBL5183411
PubChem CID: 137351573
Max Phase: Preclinical
Molecular Formula: C14H11FN4
Molecular Weight: 254.27
Associated Items:
Names and Identifiers Canonical SMILES: Fc1ccc2c(c1)CCN2c1ncnc2cc[nH]c12
Standard InChI: InChI=1S/C14H11FN4/c15-10-1-2-12-9(7-10)4-6-19(12)14-13-11(3-5-16-13)17-8-18-14/h1-3,5,7-8,16H,4,6H2
Standard InChI Key: KVGHGVHKZQAQLD-UHFFFAOYSA-N
Associated Targets(Human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Topical: 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: 254.27Molecular Weight (Monoisotopic): 254.0968AlogP: 2.79#Rotatable Bonds: 1Polar Surface Area: 44.81Molecular Species: NEUTRALHBA: 3HBD: 1#RO5 Violations: ┄HBA (Lipinski): 4HBD (Lipinski): 1#RO5 Violations (Lipinski): ┄CX Acidic pKa: 13.54CX Basic pKa: 4.01CX LogP: 2.97CX LogD: 2.97Aromatic Rings: 3Heavy Atoms: 19QED Weighted: 0.73Np Likeness Score: -1.41