Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C21H22Cl2N4O2 |
Molecular Weight | 433.331 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)NC1=CC(C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(Cl)=CC=C3)=C(Cl)C=N1
InChI
InChIKey=KSERXGMCDHOLSS-LJQANCHMSA-N
InChI=1S/C21H22Cl2N4O2/c1-12(2)26-20-8-16(17(23)10-25-20)14-7-18(24-9-14)21(29)27-19(11-28)13-4-3-5-15(22)6-13/h3-10,12,19,24,28H,11H2,1-2H3,(H,25,26)(H,27,29)/t19-/m1/s1
Molecular Formula | C21H22Cl2N4O2 |
Molecular Weight | 433.331 |
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 06:39:23 UTC 2023
by
admin
on
Sat Dec 16 06:39:23 UTC 2023
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Record UNII |
16ZDH50O1U
|
Record Status |
Validated (UNII)
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Record Version |
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-
Download
Name | Type | Language | ||
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Official Name | English | ||
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Code | English | ||
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Systematic Name | English | ||
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Common Name | English | ||
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Common Name | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C129825
Created by
admin on Sat Dec 16 06:39:23 UTC 2023 , Edited by admin on Sat Dec 16 06:39:23 UTC 2023
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NCI_THESAURUS |
C61074
Created by
admin on Sat Dec 16 06:39:23 UTC 2023 , Edited by admin on Sat Dec 16 06:39:23 UTC 2023
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Code System | Code | Type | Description | ||
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C104744
Created by
admin on Sat Dec 16 06:39:23 UTC 2023 , Edited by admin on Sat Dec 16 06:39:23 UTC 2023
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PRIMARY | |||
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CHEMBL3545022
Created by
admin on Sat Dec 16 06:39:23 UTC 2023 , Edited by admin on Sat Dec 16 06:39:23 UTC 2023
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16ZDH50O1U
Created by
admin on Sat Dec 16 06:39:23 UTC 2023 , Edited by admin on Sat Dec 16 06:39:23 UTC 2023
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PRIMARY | |||
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DB13930
Created by
admin on Sat Dec 16 06:39:23 UTC 2023 , Edited by admin on Sat Dec 16 06:39:23 UTC 2023
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9969
Created by
admin on Sat Dec 16 06:39:23 UTC 2023 , Edited by admin on Sat Dec 16 06:39:23 UTC 2023
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PRIMARY | |||
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11719003
Created by
admin on Sat Dec 16 06:39:23 UTC 2023 , Edited by admin on Sat Dec 16 06:39:23 UTC 2023
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PRIMARY | |||
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DTXSID601025683
Created by
admin on Sat Dec 16 06:39:23 UTC 2023 , Edited by admin on Sat Dec 16 06:39:23 UTC 2023
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PRIMARY | |||
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300000013128
Created by
admin on Sat Dec 16 06:39:23 UTC 2023 , Edited by admin on Sat Dec 16 06:39:23 UTC 2023
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PRIMARY | |||
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869886-67-9
Created by
admin on Sat Dec 16 06:39:23 UTC 2023 , Edited by admin on Sat Dec 16 06:39:23 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
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TRANSPORTER -> INHIBITOR |
In ABCB1-overexpressing cells, ulixertinib antagonized MDR by attenuating the efflux function of ABCB1. A combination of ulixertinib with anticancer drugs to attenuate MDR mediated by ABCB1 or ABCG2 in cancer cells overexpressing these transporters.
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TARGET -> INHIBITOR |
REVERSIBLE
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TRANSPORTER -> INHIBITOR |
In ABCG2-overexpressing cells, ulixertinib inhibited the efflux activity of ABCG2 and reversed resistance to sub-strate anticancer drugs. Mechanistic investigations revealed that ulixertinib stimulated the ATPase activity of both ABCB1 and ABCG2 in a concentration-dependent manner,
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TARGET -> INHIBITOR |
competitive with ATP increases in ATP led to increased IC50. Value for 1 micromolar ATP
REVERSIBLE
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TARGET -> INHIBITOR |
REVERSIBLE
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SALT/SOLVATE -> PARENT |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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