CYC-116

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: YAX4981K2D

Structure
InChI Key GPSZYOIFQZPWEJ-UHFFFAOYSA-N
Smile Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1
InChI
InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-7H,8-11H2,1H3,(H2,19,21)(H,20,22,23)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H20N6OS
Molecular Weight 368.47
AlogP 3.07
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 89.19
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 26.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Serine/threonine-protein kinase Aurora inhibitor PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase p70 subfamily
- - - 540 -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDC2 subfamily
- - - 390 -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK9 subfamily
- - - 480 -
Enzyme Kinase Protein Kinase CMGC protein kinase group
- - - 1090 -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase AUR family
- 19 - 8 -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 25-88 - 44 -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- - - 2800 -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 69 - 44 -
Other cytosolic protein
- - - 390 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL482967
FDA SRS YAX4981K2D
PubChem 6420138
SureChEMBL SCHEMBL2074998
ZINC ZINC000003950132
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