Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C32H47FN6O4S |
| Molecular Weight | 630.817 |
| Optical Activity | NONE |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCN(C(C)C)C(=O)C1=C(OC2=C(N=CN=C2)N3CC4(C3)CCN(C[C@H]5CC[C@@H](CC5)NS(=O)(=O)CC)CC4)C=CC(F)=C1
InChI
InChIKey=FRVSRBKUQZKTOW-YOCNBXQISA-N
InChI=1S/C32H47FN6O4S/c1-5-39(23(3)4)31(40)27-17-25(33)9-12-28(27)43-29-18-34-22-35-30(29)38-20-32(21-38)13-15-37(16-14-32)19-24-7-10-26(11-8-24)36-44(41,42)6-2/h9,12,17-18,22-24,26,36H,5-8,10-11,13-16,19-21H2,1-4H3/t24-,26-
| Molecular Formula | C32H47FN6O4S |
| Molecular Weight | 630.817 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 12:25:54 GMT 2025
by
admin
on
Wed Apr 02 12:25:54 GMT 2025
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| Record UNII |
LZ0M43NNF2
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Code System | Code | Type | Description | ||
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11657
Created by
admin on Wed Apr 02 12:25:54 GMT 2025 , Edited by admin on Wed Apr 02 12:25:54 GMT 2025
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C165776
Created by
admin on Wed Apr 02 12:25:54 GMT 2025 , Edited by admin on Wed Apr 02 12:25:54 GMT 2025
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LZ0M43NNF2
Created by
admin on Wed Apr 02 12:25:54 GMT 2025 , Edited by admin on Wed Apr 02 12:25:54 GMT 2025
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300000039865
Created by
admin on Wed Apr 02 12:25:54 GMT 2025 , Edited by admin on Wed Apr 02 12:25:54 GMT 2025
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2169919-21-3
Created by
admin on Wed Apr 02 12:25:54 GMT 2025 , Edited by admin on Wed Apr 02 12:25:54 GMT 2025
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LM-175
Created by
admin on Wed Apr 02 12:25:54 GMT 2025 , Edited by admin on Wed Apr 02 12:25:54 GMT 2025
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PRIMARY |
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SALT/SOLVATE -> PARENT |
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TARGET -> INHIBITOR |
INHIBITS MENIN BINDING TO MLL1.
IC50
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TARGET -> INHIBITOR |
BINDS TO TJE MLL1 BINDING POCKET
Ki
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SALT/SOLVATE -> PARENT |
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