Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C18H18FN5O2S |
| Molecular Weight | 387.431 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC(F)=CC=C1C2=NC=NC(NC3=CC=CC(C[S@](C)(=N)=O)=C3)=N2
InChI
InChIKey=ACWKGTGIJRCOOM-HHHXNRCGSA-N
InChI=1S/C18H18FN5O2S/c1-26-16-9-13(19)6-7-15(16)17-21-11-22-18(24-17)23-14-5-3-4-12(8-14)10-27(2,20)25/h3-9,11,20H,10H2,1-2H3,(H,21,22,23,24)/t27-/m1/s1
| Molecular Formula | C18H18FN5O2S |
| Molecular Weight | 387.431 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Atuveciclib (previously known as BAY 1143572) was developed as a highly selective inhibitor of positive transcription elongation factor b (PTEFb) /CDK9 for the treatment of cancer. PTEFb is a heterodimer of CDK9 and one of four cyclin partners, cyclin T1, cyclin K, cyclin T2a or cyclin T2b. Atuveciclib also inhibits RNA polymerase II (Ser2) phosphorylation and downregulate MYC protein expression in hematologic malignancies. The drug participated in phase I clinical trials in subjects with advanced acute leukemia and for patients with advanced malignancies. Information about further studies for these types of cancer is not available. Recently published article has shown that atuveciclib enhanced the antineoplastic effects of cisplatin and promoted inhibitory effects on breast cancer stem-like cells grown as mammospheres. In addition, was suggested that CDK9 could be a potential therapeutic target in aggressive forms of CDK9-high triple-negative breast cancer (TNBC).
Originator
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL2111389 Sources: https://www.ncbi.nlm.nih.gov/pubmed/28961375 |
13.0 nM [IC50] |
PubMed
| Title | Date | PubMed |
|---|---|---|
| Antineoplastic effects of selective CDK9 inhibition with atuveciclib on cancer stem-like cells in triple-negative breast cancer. | 2018-12-18 |
|
| Identification of Atuveciclib (BAY 1143572), the First Highly Selective, Clinical PTEFb/CDK9 Inhibitor for the Treatment of Cancer. | 2017-11-08 |
|
| Novel Pieces for the Emerging Picture of Sulfoximines in Drug Discovery: Synthesis and Evaluation of Sulfoximine Analogues of Marketed Drugs and Advanced Clinical Candidates. | 2017-04-06 |
Sample Use Guides
In Vivo Use Guide
Sources: https://clinicaltrials.gov/ct2/show/NCT02345382
Subjects received 20, 40, 80, 120, 160 or 200 mg tablet orally once daily from Cycle 1 Day 1 of each cycle.
Route of Administration:
Oral
| Substance Class |
Chemical
Created
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Mon Mar 31 22:06:48 GMT 2025
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63Q7F59W0V
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TARGET->WEAK INHIBITOR |
IC50
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TARGET -> INHIBITOR |
IC50
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