VORUCICLIB

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII W66XP666AM

Structure

InChI Key MRPGRAKIAJJGMM-OCCSQVGLSA-N
Smiles CN1CC[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccc(C(F)(F)F)cc4Cl)oc23)[C@@H]1CO
InChI
InChI=1S/C22H19ClF3NO5/c1-27-5-4-12(14(27)9-28)19-15(29)7-16(30)20-17(31)8-18(32-21(19)20)11-3-2-10(6-13(11)23)22(24,25)26/h2-3,6-8,12,14,28-30H,4-5,9H2,1H3/t12-,14+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H19ClF3NO5
Molecular Weight 469.84
AlogP 4.32
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 94.14
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
Cyclin-dependent kinase 4 inhibitor INHIBITOR DOI Other Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDC2 subfamily
- 25 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK9 subfamily
- 22 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group
- 22 - - -
Other cytosolic protein
- 22-90 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 22-90 - - -

Target Conservation

Protein: Cyclin-dependent kinase 4
Description: Cyclin-dependent kinase 4
Organism : Homo sapiens
P11802 ENSG00000135446

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL3905910
DrugBank DB15157
FDA SRS W66XP666AM
Guide to Pharmacology 9923
PubChem 67409219
SureChEMBL SCHEMBL3108205
CONTENTS