Trade Names:
Synonyms:
Status: Approved (2017)
Entry Type: Small molecule
Molecule Category: Salt
UNII: BG7HLX2919
Parent Compound: RIBOCICLIB

Structure

InChI Key NHANOMFABJQAAH-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Cyclin-dependent kinase 4 inhibitor PubMed Other

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Breast Neoplasms 4 D001943 FDA

Related Entries

Parent
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Investigations
12.03
General disorders and administration site conditions
11.82
Gastrointestinal disorders
10.55
Respiratory, thoracic and mediastinal disorders
8.9
Cardiac disorders
6.88
Nervous system disorders
5.79
Blood and lymphatic system disorders
5.61
Infections and infestations
4.95
Skin and subcutaneous tissue disorders
4.67
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
4.14
Vascular disorders
3.98
Musculoskeletal and connective tissue disorders
3.74
Psychiatric disorders
2.9
Metabolism and nutrition disorders
2.79
Injury, poisoning and procedural complications
2.68
Renal and urinary disorders
2.27

Cross References

Resources Reference
ChEMBL CHEMBL3707266
FDA SRS BG7HLX2919
PubChem 57334219
SureChEMBL SCHEMBL2684999