RIBOCICLIB

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC L01EF02
UNII TK8ERE8P56

Structure

InChI Key RHXHGRAEPCAFML-UHFFFAOYSA-N
Smiles CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
InChI
InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H30N8O
Molecular Weight 434.55
AlogP 2.8
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 91.21
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
Cyclin-dependent kinase 4 inhibitor INHIBITOR Other PubMed
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 CDK9 subfamily
- 197-197 - - 84
Enzyme Kinase Protein Kinase CMGC protein kinase group
- 2-73 - - 86-101
Other cytosolic protein
- 10-197 - - 84-101
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
286.2-500.8 2-197 - - 84-101

Target Conservation

Protein: Cyclin-dependent kinase 4
Description: Cyclin-dependent kinase 4
Organism : Homo sapiens
P11802 ENSG00000135446
Protein: Cyclin-dependent kinase 6
Description: Cyclin-dependent kinase 6
Organism : Homo sapiens
Q00534 ENSG00000105810

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL3545110
DrugBank DB11730
DrugCentral 5218
FDA SRS TK8ERE8P56
Guide to Pharmacology 7383
PDB 6ZZ
PharmGKB PA166153470
PubChem 44631912
SureChEMBL SCHEMBL302310
ZINC ZINC000072316335
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