8-Cyclopentyl-6-ethoxymethyl-2-(5-morpholin-4-yl-pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one

ID: ALA3977079

PubChem CID: 10216993

Max Phase: Preclinical

Molecular Formula: C24H30N6O3

Molecular Weight: 450.54

Molecule Type: Small molecule

Associated Items:

This compound is not in our inventory system

Names and Identifiers

Canonical SMILES:  CCOCc1cc2cnc(Nc3ccc(N4CCOCC4)cn3)nc2n(C2CCCC2)c1=O

Standard InChI:  InChI=1S/C24H30N6O3/c1-2-32-16-18-13-17-14-26-24(28-22(17)30(23(18)31)19-5-3-4-6-19)27-21-8-7-20(15-25-21)29-9-11-33-12-10-29/h7-8,13-15,19H,2-6,9-12,16H2,1H3,(H,25,26,27,28)

Standard InChI Key:  AFNOMJNGXFOVCJ-UHFFFAOYSA-N

Molfile:  

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M  END

Associated Targets(Human)

CDK4 Tclin Cyclin-dependent kinase 4/cyclin D1 (2340 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDK2 Tchem CDK2/Cyclin A2 (2260 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FGFR3 Tclin Fibroblast growth factor receptor (331 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 450.54Molecular Weight (Monoisotopic): 450.2379AlogP: 3.42#Rotatable Bonds: 7
Polar Surface Area: 94.40Molecular Species: NEUTRALHBA: 9HBD: 1
#RO5 Violations: HBA (Lipinski): 9HBD (Lipinski): 1#RO5 Violations (Lipinski):
CX Acidic pKa: 11.43CX Basic pKa: 3.55CX LogP: 2.99CX LogD: 2.99
Aromatic Rings: 3Heavy Atoms: 33QED Weighted: 0.59Np Likeness Score: -1.36

References

1.  (2003)  2-(Pyridin-2-ylamino)-pyrido[2,3-d]pyrimidin-7-ones, 

Source