TRILACICLIB

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII U6072DO9XG

Structure

InChI Key PDGKHKMBHVFCMG-UHFFFAOYSA-N
Smiles CN1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CNC5=O)nc2)CC1
InChI
InChI=1S/C24H30N8O/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H30N8O
Molecular Weight 446.56
AlogP 2.72
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 91.21
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 33.0

Pharmacology

Mechanism of Action Action Reference
Cyclin-dependent kinase 4 inhibitor INHIBITOR PubMed PubMed FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CMGC protein kinase group
- 1-4 - - -
Other cytosolic protein
- 1-4 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 1-30 - - -

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 CHEMBL3894860
DrugBank DB15442
FDA SRS U6072DO9XG
Guide to Pharmacology 9626
PubChem 68029831
SureChEMBL SCHEMBL10082028
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