Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C29H14ClF5N6O2 |
| Molecular Weight | 608.905 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
FC1=CC([C@@H]2NC(=O)C3=C2C(NC(=O)C4=CC(=CC(F)=C4)C(F)(F)F)=CC(=C3)C5=C(C#N)N6N=CN=C6C=C5)=C(Cl)C=C1
InChI
InChIKey=VYWRYBZVVSPTQN-SANMLTNESA-N
InChI=1S/C29H14ClF5N6O2/c30-21-3-1-16(31)10-19(21)26-25-20(28(43)40-26)7-13(18-2-4-24-37-12-38-41(24)23(18)11-36)8-22(25)39-27(42)14-5-15(29(33,34)35)9-17(32)6-14/h1-10,12,26H,(H,39,42)(H,40,43)/t26-/m0/s1
| Molecular Formula | C29H14ClF5N6O2 |
| Molecular Weight | 608.905 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 13:57:20 GMT 2025
by
admin
on
Wed Apr 02 13:57:20 GMT 2025
|
| Record UNII |
LR5XLA3BPC
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Preferred Name | English | ||
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Code | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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C186533
Created by
admin on Wed Apr 02 13:57:20 GMT 2025 , Edited by admin on Wed Apr 02 13:57:20 GMT 2025
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PRIMARY | |||
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2733573-94-7
Created by
admin on Wed Apr 02 13:57:20 GMT 2025 , Edited by admin on Wed Apr 02 13:57:20 GMT 2025
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PRIMARY | |||
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LR5XLA3BPC
Created by
admin on Wed Apr 02 13:57:20 GMT 2025 , Edited by admin on Wed Apr 02 13:57:20 GMT 2025
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PRIMARY | |||
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166822065
Created by
admin on Wed Apr 02 13:57:20 GMT 2025 , Edited by admin on Wed Apr 02 13:57:20 GMT 2025
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PRIMARY | |||
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300000040690
Created by
admin on Wed Apr 02 13:57:20 GMT 2025 , Edited by admin on Wed Apr 02 13:57:20 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
OFF TARGET->NON-INHIBITOR |
RLY-2608 shows potent isoform
selective, biochemical inhibition
IC50
|
||
|
OFF TARGET->WEAK INHIBITOR |
RLY-2608 shows potent isoform
selective, biochemical inhibition
IC50
|
||
|
TARGET -> INHIBITOR |
Allosteric PI3K? inhibitor
ALLOSTERIC
IC50
|
||
|
OFF TARGET->NON-INHIBITOR |
RLY-2608 shows potent isoform
selective, biochemical inhibition
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
ACTIVE MOIETY |
|
