RONICICLIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 0W9Q8U337A

Structure
InChI Key UELYDGOOJPRWGF-MFOHZAOFSA-N
Smile C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(S(=N)(=O)C3CC3)cc2)ncc1C(F)(F)F
InChI
InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11-,29?/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H21F3N4O3S
Molecular Weight 430.45
AlogP 3.96
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 108.19
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cyclin-dependent kinase inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDC2 subfamily
- 7-7 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK7 subfamily
- 25-25 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK9 subfamily
- 5-5 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group
- 7-7 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 163 - - -
Other cytosolic protein
- 7-7 - - -
Unclassified protein
- 25-25 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Small Cell Lung Carcinoma 2 D055752 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4442620
FDA SRS 0W9Q8U337A
Guide to Pharmacology 7874
PubChem 71494949
SureChEMBL SCHEMBL875845
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