Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C21H23F3N6O2 |
Molecular Weight | 448.4415 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]1(CCOC1)N2C(NC3=C(F)C=C(F)C=C3F)=NC4=CN=C(N[C@H]5CC[C@H](O)CC5)N=C24
InChI
InChIKey=IBGLGMOPHJQDJB-IHRRRGAJSA-N
InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m0/s1
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/22244937Curator's Comment: Description was created based on several sources, including
http://www.pharmacodia.com/yaodu/html/v1/chemicals/5ac743bb07d7ade910de883559891e70.html
http://www.apexbt.com/cc-930.html
Sources: https://www.ncbi.nlm.nih.gov/pubmed/22244937
Curator's Comment: Description was created based on several sources, including
http://www.pharmacodia.com/yaodu/html/v1/chemicals/5ac743bb07d7ade910de883559891e70.html
http://www.apexbt.com/cc-930.html
Tanzisertib (CC-930) is a potent and selective inhibitor of JNK1/JNK2/JNK3 with IC50 values of 61 nM, 7 nM and 6 nM respectively. Tanzisertib had been in phase II clinical trials for the treatment of idiopathic pulmonary fibrosis and discoid lupus erythematosus. But this research was discontinued in 2012. In 2011, the compound was granted orphan drug designation in the U.S. and the E.U. for the treatment of idiopathic pulmonary fibrosis. The compound was co-developed by Celgene and Ligand.
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL2276 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22244937 |
61.0 nM [IC50] | ||
Target ID: CHEMBL4179 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22244937 |
7.0 nM [IC50] | ||
Target ID: CHEMBL2637 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22244937 |
6.0 nM [IC50] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Primary | Unknown Approved UseUnknown |
|||
Primary | Unknown Approved UseUnknown |
Cmax
Value | Dose | Co-administered | Analyte | Population |
---|---|---|---|---|
1505 ng × eq/g EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/25482583 |
200 mg single, oral dose: 200 mg route of administration: Oral experiment type: SINGLE co-administered: |
TANZISERTIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: UNKNOWN |
AUC
Value | Dose | Co-administered | Analyte | Population |
---|---|---|---|---|
15827 ng × eq × h/g EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/25482583 |
200 mg single, oral dose: 200 mg route of administration: Oral experiment type: SINGLE co-administered: |
TANZISERTIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: UNKNOWN |
T1/2
Value | Dose | Co-administered | Analyte | Population |
---|---|---|---|---|
13 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/25482583 |
200 mg single, oral dose: 200 mg route of administration: Oral experiment type: SINGLE co-administered: |
TANZISERTIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: UNKNOWN |
Sample Use Guides
In Vivo Use Guide
Sources: https://clinicaltrials.gov/ct2/show/NCT01466725
25 mg daily for 4 weeks
50 mg once daily for 4 weeks
100 mg daily for 6 weeks
Route of Administration:
Oral
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/25064435
1-2 uM Tanzisertib (CC-930) blocked apoptosis and necrosis of Jnk1(-/-) and Tlr4(-/-) mouse hepatocytes.
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Classification Tree | Code System | Code | ||
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FDA ORPHAN DRUG |
348911
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NCI_THESAURUS |
C1404
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C152510
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CHEMBL1950289
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YY-12
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100000181869
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9557
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DB11798
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11597537
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DTXSID901026042
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M5O06306UO
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899805-25-5
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EU/3/11/934(POSITIVE)
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admin on Fri Dec 15 16:53:29 GMT 2023 , Edited by admin on Fri Dec 15 16:53:29 GMT 2023
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PRIMARY | Treatment of idiopathic pulmonary fibrosis 9/12/2011 Positive |
ACTIVE MOIETY