Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H21F3N4O2 |
| Molecular Weight | 418.4122 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@@H](CNC(=O)C1=CN2C=C(C=CC2=N1)C(F)(F)F)CN3CCC4=C(C3)C=CC=C4
InChI
InChIKey=BBWOALSAXDLCTK-KRWDZBQOSA-N
InChI=1S/C21H21F3N4O2/c22-21(23,24)16-5-6-19-26-18(13-28(19)11-16)20(30)25-9-17(29)12-27-8-7-14-3-1-2-4-15(14)10-27/h1-6,11,13,17,29H,7-10,12H2,(H,25,30)/t17-/m0/s1
| Molecular Formula | C21H21F3N4O2 |
| Molecular Weight | 418.4122 |
| 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
Sat Dec 16 19:29:21 UTC 2023
by
admin
on
Sat Dec 16 19:29:21 UTC 2023
|
| Record UNII |
B4P2B52Y6S
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
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Code | English | ||
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Common Name | English | ||
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Systematic Name | English |
| Classification Tree | Code System | Code | ||
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FDA ORPHAN DRUG |
923622
Created by
admin on Sat Dec 16 19:29:21 UTC 2023 , Edited by admin on Sat Dec 16 19:29:21 UTC 2023
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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138634367
Created by
admin on Sat Dec 16 19:29:21 UTC 2023 , Edited by admin on Sat Dec 16 19:29:21 UTC 2023
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PRIMARY | |||
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B4P2B52Y6S
Created by
admin on Sat Dec 16 19:29:21 UTC 2023 , Edited by admin on Sat Dec 16 19:29:21 UTC 2023
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PRIMARY | |||
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2334452-88-7
Created by
admin on Sat Dec 16 19:29:21 UTC 2023 , Edited by admin on Sat Dec 16 19:29:21 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET -> INHIBITOR |
Collectively, pre-clinical pharmacology studies indicate that JBI-778 is a potent and selective, substrate competitive-SAM cooperative, brain penetrant protein arginine methyl transferase 5 (PRMT5) inhibitor. JBI-778 shows higher selectivity against other PRMTs. The compound shows an IC50 of ~3 nM against PRMT5:MEP50 in the biochemical assay
COMPETITIVE INHIBITOR
IC50
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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| Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
|---|---|---|---|---|---|---|
| BRAIN/PLASMA RATIO | PHARMACOKINETIC |
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Route of Administration PHARMACOKINETIC |
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