Details
Stereochemistry | ACHIRAL |
Molecular Formula | C28H29N7O |
Molecular Weight | 479.5762 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=C(NC2=NC(=CC=N2)C3=CC=CN=C3)C=C(NC(=O)C4=CC=C(CN5CCNCC5)C=C4)C=C1
InChI
InChIKey=BQQYXPHRXIZMDM-UHFFFAOYSA-N
InChI=1S/C28H29N7O/c1-20-4-9-24(17-26(20)34-28-31-12-10-25(33-28)23-3-2-11-30-18-23)32-27(36)22-7-5-21(6-8-22)19-35-15-13-29-14-16-35/h2-12,17-18,29H,13-16,19H2,1H3,(H,32,36)(H,31,33,34)
Molecular Formula | C28H29N7O |
Molecular Weight | 479.5762 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/15255805Curator's Comment: Description was created based on several sources, including:
https://www.ncbi.nlm.nih.gov/pubmed/22865010
Sources: https://www.ncbi.nlm.nih.gov/pubmed/15255805
Curator's Comment: Description was created based on several sources, including:
https://www.ncbi.nlm.nih.gov/pubmed/22865010
CGP-74588 (Norimatinib, N-Desmethyl Imatinib) is a metabolite of Imatinib, a tyrosine kinase inhibitor, displaying specificity for BCR-ABL. CGP-74588 is pharmacologically active, and shows a similar potency and selectivity profile as the parent drug
CNS Activity
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL2096618 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23611771 |
2229.0 nM [IC50] | ||
Target ID: CHEMBL1075104 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25998502 |
4600.0 nM [IC50] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Sample Use Guides
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/23611771
The effects of CGP74588 on BCR-ABL1 autophosphorylation and on BCR-ABL1-dependent cell viability were determined in murine haematopoietic Ba/F3 cells transfected to express human BCR-ABL1, using a capture enzyme-linked immunosorbant (ELISA) and a luminescence ATP-detection assay. CGP74588 shows potent inhibition of BCR-ABL in nanomolar range.
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:43:29 GMT 2023
by
admin
on
Sat Dec 16 08:43:29 GMT 2023
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Record UNII |
6GOH0N63QD
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Record Status |
Validated (UNII)
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Record Version |
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6GOH0N63QD
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404844-03-7
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BINDER->LIGAND |
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PARENT -> METABOLITE ACTIVE |
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PARENT -> IMPURITY |
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