Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII BG7HLX2919
Parent Compound: RIBOCICLIB

Structure

InChI Key NHANOMFABJQAAH-UHFFFAOYSA-N
Smiles CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1.O=C(O)CCC(=O)O
InChI
InChI=1S/C23H30N8O.C4H6O4/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;5-3(6)1-2-4(7)8/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28);1-2H2,(H,5,6)(H,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H36N8O5
Molecular Weight 552.64
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 PubMed Other

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 CHEMBL3707266
FDA SRS BG7HLX2919
PubChem 57334219
SureChEMBL SCHEMBL2684999