PALBOCICLIB

Search structure
Trade Names:
Synonyms:
Status: Approved (2015)
Entry Type: Small molecule
Molecule Category: Parent
ATC: L01EF01
UNII: G9ZF61LE7G

Structure
InChI Key AHJRHEGDXFFMBM-UHFFFAOYSA-N
Smile CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
InChI
InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H29N7O2
Molecular Weight 447.54
AlogP 2.97
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 105.04
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR CDK6/cyclin D1 inhibitor FDA
Primary Target
cyclin dependent kinase 4
cyclin dependent kinase 6
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
- 230-8750 - - 42
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK9 subfamily
- 1100-1917 - 364
Enzyme Kinase Protein Kinase CMGC protein kinase group
- 2-32 - 27 42
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakA family
- 63 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakB family
- 63 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 3480 - - -
Enzyme Kinase Protein kinase regulatory subunit
- 1207 - - -
Other cytosolic protein
- 2-32 - 27 42

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 4 D009369 ClinicalTrials
Breast Neoplasms 4 D001943 ClinicalTrials
Neoplasms 4 D009369 ClinicalTrials
Carcinoma, Squamous Cell 3 D002294 ClinicalTrials
Carcinoma, Squamous Cell 3 D002294 ClinicalTrials
Sarcoma 3 D012509 ClinicalTrials
Carcinoma, Squamous Cell 3 D002294 ClinicalTrials
Sarcoma 3 D012509 ClinicalTrials
Nasopharyngeal Neoplasms 2 D009303 ClinicalTrials
Lymphoma, Mantle-Cell 2 D020522 ClinicalTrials
Carcinoma, Hepatocellular 2 D006528 ClinicalTrials
Liposarcoma 2 D008080 ClinicalTrials
Adenocarcinoma 2 D000230 ClinicalTrials
Oligodendroglioma 2 D009837 ClinicalTrials
Oligodendroglioma 2 D009837 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Thymus Neoplasms 2 D013953 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Neuroendocrine Tumors 2 D018358 ClinicalTrials
Chordoma 2 D002817 ClinicalTrials
Sarcoma, Ewing 2 D012512 ClinicalTrials
Urinary Bladder Neoplasms 2 D001749 ClinicalTrials
Colonic Neoplasms 2 D003110 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Endometrial Neoplasms 2 D016889 ClinicalTrials
Lymphoma 2 D008223 ClinicalTrials
Lymphoma, Non-Hodgkin 1 D008228 ClinicalTrials
Carcinoma, Pancreatic Ductal 1 D021441 ClinicalTrials
Multiple Myeloma 1 D009101 ClinicalTrials
Hereditary Breast and Ovarian Cancer Syndrome 1 D061325 ClinicalTrials
Head and Neck Neoplasms 1 D006258 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials
Carcinoma, Ductal 1 D044584 ClinicalTrials
Glioblastoma 1 D005909 ClinicalTrials
Precursor Cell Lymphoblastic Leukemia-Lymphoma 1 D054198 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials
Pancreatic Neoplasms 1 D010190 ClinicalTrials
Lung Neoplasms 1 D008175 ClinicalTrials

Related Entries

Salt

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
15.16
Gastrointestinal disorders
12.25
Investigations
10.83
Nervous system disorders
7.59
Respiratory, thoracic and mediastinal disorders
7.4
Skin and subcutaneous tissue disorders
7.16
Musculoskeletal and connective tissue disorders
6.27
Vascular disorders
4.16
Infections and infestations
3.9
Psychiatric disorders
3.87
Blood and lymphatic system disorders
3.8
Injury, poisoning and procedural complications
3.43
Cardiac disorders
3.22
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
2.82
Metabolism and nutrition disorders
2.46

Cross References

Resources Reference
CAS NUMBER 571190-30-2
ChEBI 85993
ChEMBL CHEMBL189963
DrugBank DB09073
DrugCentral 4941
FDA SRS G9ZF61LE7G
Guide to Pharmacology 7380
PDB LQQ
PharmGKB PA166153469
PubChem 5330286
SureChEMBL SCHEMBL462630
ZINC ZINC000003938686
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