Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C24H26N6O3 |
Molecular Weight | 446.5016 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@H](O)C(=O)N1CCC(CC1)N2C(=O)N(C)C3=C2C4=NC(=CC=C4N=C3)C5=CC=C(C)N=C5
InChI
InChIKey=GACQNUHFDBEIQH-HNNXBMFYSA-N
InChI=1S/C24H26N6O3/c1-14-4-5-16(12-25-14)18-6-7-19-21(27-18)22-20(13-26-19)28(3)24(33)30(22)17-8-10-29(11-9-17)23(32)15(2)31/h4-7,12-13,15,17,31H,8-11H2,1-3H3/t15-/m0/s1
Molecular Formula | C24H26N6O3 |
Molecular Weight | 446.5016 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/24900568Curator's Comment: Description was created based on several sources, including http://adisinsight.springer.com/drugs/800023609 http://www.xcessbio.com/products/small-molecules/PF-04979064.html
Sources: https://www.ncbi.nlm.nih.gov/pubmed/24900568
Curator's Comment: Description was created based on several sources, including http://adisinsight.springer.com/drugs/800023609 http://www.xcessbio.com/products/small-molecules/PF-04979064.html
PF-04979064 is a highly potent and orally bioavailable PI3K/mTOR dual inhibitor developed through structure-based drug design. It inhibited mTOR, PI3Kα, β, δ and γ isoforms and AKT phosphorylation with IC50 as 2.64 nM, 0.395 nM, 0.111 nM, 0.122 nM and 28.3 nM, respectively. PF-04979064 exhibited cellular potency with an IC50 of 9.1 nM in a BT20 cell assay. PF-04979064 exhibited excellent in vitro potency, very good solubility, high LipE, excellent kinome selectivity, robust PK/PD correlation and tumor growth inhibition (TGI) in a U87MG mouse xenograft model, and acceptable predicted human clearance after incorporating both CYP- and AO-mediated metabolism. PF-04979064 is the back-up candidate to PF-04691502 which is in Phase I/II clinical trials for treating solid tumors.
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL4005 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24900568 |
0.13 nM [Ki] | ||
Target ID: CHEMBL3267 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24900568 |
0.111 nM [Ki] | ||
Target ID: CHEMBL3130 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24900568 |
0.122 nM [Ki] | ||
Target ID: CHEMBL2842 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24900568 |
1.42 nM [Ki] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Primary | Unknown Approved UseUnknown |
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:53:28 GMT 2023
by
admin
on
Sat Dec 16 09:53:28 GMT 2023
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Record UNII |
5PO9J9ZC3X
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Record Status |
Validated (UNII)
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Record Version |
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5PO9J9ZC3X
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46866705
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admin on Sat Dec 16 09:53:29 GMT 2023 , Edited by admin on Sat Dec 16 09:53:29 GMT 2023
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