Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C20H18ClF2N5O3 |
Molecular Weight | 449.838 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@@H]1CCN(C1)C2=C(C=C(C=N2)C(=O)NC3=CC=C(OC(F)(F)Cl)C=C3)C4=CC=NN4
InChI
InChIKey=VOVZXURTCKPRDQ-CQSZACIVSA-N
InChI=1S/C20H18ClF2N5O3/c21-20(22,23)31-15-3-1-13(2-4-15)26-19(30)12-9-16(17-5-7-25-27-17)18(24-10-12)28-8-6-14(29)11-28/h1-5,7,9-10,14,29H,6,8,11H2,(H,25,27)(H,26,30)/t14-/m1/s1
Molecular Formula | C20H18ClF2N5O3 |
Molecular Weight | 449.838 |
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 18:03:02 UTC 2023
by
admin
on
Sat Dec 16 18:03:02 UTC 2023
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Record UNII |
L1F3R18W77
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Record Status |
Validated (UNII)
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Record Version |
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-
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Official Name | English | ||
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Code | English | ||
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Code | English | ||
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Common Name | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C1967
Created by
admin on Sat Dec 16 18:03:02 UTC 2023 , Edited by admin on Sat Dec 16 18:03:02 UTC 2023
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FDA ORPHAN DRUG |
556416
Created by
admin on Sat Dec 16 18:03:02 UTC 2023 , Edited by admin on Sat Dec 16 18:03:02 UTC 2023
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NCI_THESAURUS |
C129825
Created by
admin on Sat Dec 16 18:03:02 UTC 2023 , Edited by admin on Sat Dec 16 18:03:02 UTC 2023
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Code System | Code | Type | Description | ||
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L1F3R18W77
Created by
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CHEMBL3545115
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admin on Sat Dec 16 18:03:02 UTC 2023 , Edited by admin on Sat Dec 16 18:03:02 UTC 2023
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100000174619
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admin on Sat Dec 16 18:03:02 UTC 2023 , Edited by admin on Sat Dec 16 18:03:02 UTC 2023
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2584304
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admin on Sat Dec 16 18:03:02 UTC 2023 , Edited by admin on Sat Dec 16 18:03:02 UTC 2023
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FG-57
Created by
admin on Sat Dec 16 18:03:02 UTC 2023 , Edited by admin on Sat Dec 16 18:03:02 UTC 2023
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C114494
Created by
admin on Sat Dec 16 18:03:02 UTC 2023 , Edited by admin on Sat Dec 16 18:03:02 UTC 2023
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1492952-76-7
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DB12597
Created by
admin on Sat Dec 16 18:03:02 UTC 2023 , Edited by admin on Sat Dec 16 18:03:02 UTC 2023
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72165228
Created by
admin on Sat Dec 16 18:03:02 UTC 2023 , Edited by admin on Sat Dec 16 18:03:02 UTC 2023
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10267
Created by
admin on Sat Dec 16 18:03:02 UTC 2023 , Edited by admin on Sat Dec 16 18:03:02 UTC 2023
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L1F3R18W77
Created by
admin on Sat Dec 16 18:03:02 UTC 2023 , Edited by admin on Sat Dec 16 18:03:02 UTC 2023
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Related Record | Type | Details | ||
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SALT/SOLVATE -> PARENT | |||
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TARGET -> INHIBITOR |
ALLOSTERIC INHIBITOR
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
Originator: Novartis; Developer: Novartis Oncology; Class: Anti-neoplastic, Small molecule; Mechanism of Action: Bcr-abl tyrosine kinase inhibitor; Orphan Drug Status: No; On Fast track: No; New Molecular Entity: Yes; Highest Development Phases: Phase I for Acute lymphoblastic leukaemia, Chronic myeloid leukaemia; Most Recent Events: 30 Apr 2014 Phase-I clinical trials in Chronic myeloid leukaemia (Second-line therapy or greater) in Australia, Germany, the Netherlands, Japan and South Korea (PO), 30 Apr 2014 Phase-I clinical trials in Acute lymphoblastic leukaemia (Second-line therapy or greater) in Australia, Germany, the Netherlands, Japan and South Korea (PO), 05 Mar 2014 Novartis plans a phase I trial for Chronic myeloid leukaemia & Acute lymphoblastic leukaemia in USA, Australia, Germany, France, Italy, the Netherlands, Spain, Japan, South Korea & Singapore (NCT02081378)
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