Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C29H26FN7O |
| Molecular Weight | 507.5614 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CN1C2=N[C@@H]3CCC[C@@H]3N2C4=NN(CC5=CC=C(C=C5)C6=NC(F)=CC=C6)C(NC7=CC=CC=C7)=C4C1=O
InChI
InChIKey=BBIPVJCGIASXJB-PKTZIBPZSA-N
InChI=1S/C29H26FN7O/c1-35-28(38)25-26(31-20-7-3-2-4-8-20)36(34-27(25)37-23-11-5-10-22(23)33-29(35)37)17-18-13-15-19(16-14-18)21-9-6-12-24(30)32-21/h2-4,6-9,12-16,22-23,31H,5,10-11,17H2,1H3/t22-,23+/m1/s1
| Molecular Formula | C29H26FN7O |
| Molecular Weight | 507.5614 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL3421 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27342643 |
3.4E-5 µM [Ki] | ||
Target ID: CHEMBL4425 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27342643 |
3.8E-4 µM [Ki] | ||
Target ID: CHEMBL4619 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27342643 |
3.7E-5 µM [Ki] | ||
Target ID: CHEMBL290 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27342643 |
3.1 µM [Ki] | ||
Target ID: CHEMBL288 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27342643 |
0.033 µM [Ki] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 23:30:26 GMT 2025
by
admin
on
Mon Mar 31 23:30:26 GMT 2025
|
| Record UNII |
3GBO34D1BE
|
| Record Status |
Validated (UNII)
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| Record Version |
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42639643
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C177065
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GH-75
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11635
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3GBO34D1BE
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1160521-50-5
Created by
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300000028890
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DB15039
Created by
admin on Mon Mar 31 23:30:26 GMT 2025 , Edited by admin on Mon Mar 31 23:30:26 GMT 2025
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET -> INHIBITOR |
IC50
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SALT/SOLVATE -> PARENT |
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TARGET -> INHIBITOR |
IC50
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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