RIBOCICLIB

Search structure
Synonyms:
Status: Approved (2017)
Entry Type: Small molecule
Molecule Category: Parent
ATC: L01EF02
UNII: TK8ERE8P56

Structure
InChI Key RHXHGRAEPCAFML-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Cyclin-dependent kinase 4 inhibitor Other PubMed
Primary Target
cyclin dependent kinase 4
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
- 76000 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK9 subfamily
- 197-3900 - - 84
Enzyme Kinase Protein Kinase CMGC protein kinase group
- 10-30 - - 101
Other cytosolic protein
- 10-30 - - 101

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Breast Neoplasms 3 D001943 ClinicalTrials
Breast Neoplasms 3 D001943 ClinicalTrials
Breast Neoplasms 3 D001943 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Neuroendocrine Tumors 2 D018358 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Neuroendocrine Tumors 2 D018358 ClinicalTrials
Fallopian Tube Neoplasms 2 D005185 ClinicalTrials
Teratoma 2 D013724 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Liposarcoma 2 D008080 ClinicalTrials
Uterine Neoplasms 2 D014594 ClinicalTrials
Carcinoma, Hepatocellular 2 D006528 ClinicalTrials
Fallopian Tube Neoplasms 2 D005185 ClinicalTrials
Liposarcoma 2 D008080 ClinicalTrials
Sarcoma 2 D012509 ClinicalTrials
Carcinoma 2 D002277 ClinicalTrials
Thymus Neoplasms 2 D013953 ClinicalTrials
Primary Myelofibrosis 1 D055728 ClinicalTrials
Glioblastoma 1 D005909 ClinicalTrials
Carcinoma, Squamous Cell 1 D002294 ClinicalTrials
Prostatic Neoplasms 1 D011471 ClinicalTrials
Neuroblastoma 1 D009447 ClinicalTrials
Astrocytoma 1 D001254 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials
Rhabdoid Tumor 1 D018335 ClinicalTrials
Precursor Cell Lymphoblastic Leukemia-Lymphoma 1 D054198 ClinicalTrials
Peritoneal Neoplasms 1 D010534 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials
Diffuse Intrinsic Pontine Glioma 1 D000080443 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 1 D064129 ClinicalTrials
Lymphoma 1 D008223 ClinicalTrials

Related Entries

Salt

Cross References

Resources Reference
CAS NUMBER 1211441-98-3
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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