Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C53H51Cl2FN6O9S |
| Molecular Weight | 1037.976 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CN1CCN(C[C@@H]2COC3=CC(C[C@@H](OC4=NC=NC5=C4C(=C(S5)C6=CC=C(F)C=C6)C7=C(C)C(Cl)=C(O2)C(Cl)=C7C)C(O)=O)=C(OCC8=CC=NC(=N8)C9=CC=C(OC[C@H]%10COCCO%10)C=C9)C=C3)CC1
InChI
InChIKey=BOMNURVTAHAEBQ-KWIIHVIGSA-N
InChI=1S/C53H51Cl2FN6O9S/c1-30-43-31(2)47(55)48(46(30)54)70-39(24-62-18-16-61(3)17-19-62)27-68-38-12-13-41(69-25-36-14-15-57-50(60-36)33-6-10-37(11-7-33)67-28-40-26-65-20-21-66-40)34(22-38)23-42(53(63)64)71-51-45-44(43)49(72-52(45)59-29-58-51)32-4-8-35(56)9-5-32/h4-15,22,29,39-40,42H,16-21,23-28H2,1-3H3,(H,63,64)/t39-,40-,42-/m1/s1
| Molecular Formula | C53H51Cl2FN6O9S |
| Molecular Weight | 1037.976 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 15:04:50 GMT 2023
by
admin
on
Sat Dec 16 15:04:50 GMT 2023
|
| Record UNII |
E1C0J49GTW
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Code | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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137517950
Created by
admin on Sat Dec 16 15:04:50 GMT 2023 , Edited by admin on Sat Dec 16 15:04:50 GMT 2023
|
PRIMARY | |||
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E1C0J49GTW
Created by
admin on Sat Dec 16 15:04:50 GMT 2023 , Edited by admin on Sat Dec 16 15:04:50 GMT 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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OFF TARGET->ACTIVATOR |
In 4 out of 8 patients ABBV-467 increased the levels of troponin, a protein associated with damage to the heart. This concerning side effect may impact the future development of MCL-1 inhibitors as anticancer drugs.
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TARGET -> INHIBITOR |
TR-FRET
BINDING
Ki
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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