Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C42H57ClN4O5S |
Molecular Weight | 765.4464 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 7 / 7 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@@]1([H])C/C(/[H])=C(\[H])/[C@](CN2CCN3CCCC[C@]3([H])C2)([C@]4([H])CC[C@@]4([H])CN5C[C@@]6(CCCc7cc(ccc76)Cl)COc8ccc(cc85)C(=NS(=O)(=O)[C@]1([H])C)O)OC
InChI
InChIKey=BJTFTQIBRVBSBH-VCQPVEJUSA-N
InChI=1S/C42H57ClN4O5S/c1-29-8-6-18-42(51-3,27-45-20-21-46-19-5-4-10-35(46)25-45)37-14-11-33(37)24-47-26-41(17-7-9-31-22-34(43)13-15-36(31)41)28-52-39-16-12-32(23-38(39)47)40(48)44-53(49,50)30(29)2/h6,12-13,15-16,18,22-23,29-30,33,35,37H,4-5,7-11,14,17,19-21,24-28H2,1-3H3,(H,44,48)/b18-6+/t29-,30+,33-,35+,37+,41-,42-/m0/s1
Molecular Formula | C42H57ClN4O5S |
Molecular Weight | 765.4464 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 7 / 7 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Jun 26 15:39:50 UTC 2021
by
admin
on
Sat Jun 26 15:39:50 UTC 2021
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Record UNII |
BO0V7196L2
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Record Status |
Validated (UNII)
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Record Version |
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-
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Name | Type | Language | ||
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Official Name | English | ||
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Systematic Name | English | ||
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Systematic Name | English | ||
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Common Name | English | ||
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Common Name | English | ||
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Code | English | ||
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Common Name | English |
Classification Tree | Code System | Code | ||
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FDA ORPHAN DRUG |
675018
Created by
admin on Sat Jun 26 15:39:51 UTC 2021 , Edited by admin on Sat Jun 26 15:39:51 UTC 2021
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FDA ORPHAN DRUG |
698019
Created by
admin on Sat Jun 26 15:39:51 UTC 2021 , Edited by admin on Sat Jun 26 15:39:51 UTC 2021
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FDA ORPHAN DRUG |
674818
Created by
admin on Sat Jun 26 15:39:51 UTC 2021 , Edited by admin on Sat Jun 26 15:39:51 UTC 2021
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Code System | Code | Type | Description | ||
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138669688
Created by
admin on Sat Jun 26 15:39:51 UTC 2021 , Edited by admin on Sat Jun 26 15:39:51 UTC 2021
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PRIMARY | |||
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C156740
Created by
admin on Sat Jun 26 15:39:51 UTC 2021 , Edited by admin on Sat Jun 26 15:39:51 UTC 2021
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PRIMARY | |||
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2245848-05-7
Created by
admin on Sat Jun 26 15:39:51 UTC 2021 , Edited by admin on Sat Jun 26 15:39:51 UTC 2021
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PRIMARY | |||
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BO0V7196L2
Created by
admin on Sat Jun 26 15:39:51 UTC 2021 , Edited by admin on Sat Jun 26 15:39:51 UTC 2021
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PRIMARY | |||
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11281
Created by
admin on Sat Jun 26 15:39:51 UTC 2021 , Edited by admin on Sat Jun 26 15:39:51 UTC 2021
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PRIMARY |
Related Record | Type | Details | ||
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TRANSPORTER -> INHIBITOR |
IC50
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TARGET -> INHIBITOR |
In-vitro, AMG 397 neutralizes the interaction between the human anti-apoptotic MCL1 – (BIM) in a time-resolved fluorescence resonance energy transfer-based assay with a mean half-maximal inhibitory concentration (IC50) of 0.116 nM
IC50
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TRANSPORTER -> SUBSTRATE |
Efflux ratio of 100 at 1?M versus 4 with Pg-p inhibitor
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Related Record | Type | Details | ||
---|---|---|---|---|
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ACTIVE MOIETY |