TRILACICLIB DIHYDROCHLORIDE

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Synonyms
Status
Molecule Category Salt-form
UNII 4BX07W725T

Structure

InChI Key BRCYOXKEDFAUSA-UHFFFAOYSA-N
Smiles CN1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CNC5=O)nc2)CC1.Cl.Cl
InChI
InChI=1S/C24H30N8O.2ClH/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);2*1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H32Cl2N8O
Molecular Weight 519.48
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 FDA PubMed

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

Cross References

Resources Reference
ChEMBL CHEMBL4650272
FDA SRS 4BX07W725T
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