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Details

Stereochemistry ACHIRAL
Molecular Formula C29H27F3N6O
Molecular Weight 532.5606
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OLVEREMBATINIB

SMILES

Cc1ccc(cc1C#Cc2cc3c[nH]nc3nc2)C(=O)Nc4ccc(CN5CCN(C)CC5)c(c4)C(F)(F)F

InChI

InChIKey=TZKBVRDEOITLRB-UHFFFAOYSA-N
InChI=1S/C29H27F3N6O/c1-19-3-5-22(14-21(19)6-4-20-13-24-17-34-36-27(24)33-16-20)28(39)35-25-8-7-23(26(15-25)29(30,31)32)18-38-11-9-37(2)10-12-38/h3,5,7-8,13-17H,9-12,18H2,1-2H3,(H,35,39)(H,33,34,36)

HIDE SMILES / InChI

Molecular Formula C29H27F3N6O
Molecular Weight 532.5606
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

resistance to imatinib indicates that this novel Bcr-Abl inhibitor is a promising lead candidate for further development. GZD824 has also being shown to suppresses pre-B ALL cells through inhibition of the SRC kinase and PI3K/AKT pathways and may be a potential therapeutic agent for the management of pre-B ALL.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
0.340000000000000024 nM [IC50]
Conditions

Conditions

PubMed

PubMed

TitleDatePubMed
Identification of GZD824 as an orally bioavailable inhibitor that targets phosphorylated and nonphosphorylated breakpoint cluster region-Abelson (Bcr-Abl) kinase and overcomes clinically acquired mutation-induced resistance against imatinib.
2013 Feb 14
Patents

Patents

Sample Use Guides

GZD824 dose-dependently inhibited the growth of the K562 tumor xenograft
Route of Administration: Oral
GZD824 strongly inhibited the proliferation of Ba/F3 cells that stably expressed the most refractory Bcr-Abl T315I mutant, with an IC50 value of 7.1 nM. GZD824 strongly inhibited the growth of leukemia cells positively expressing Bcr-Abl, including K562 and Ku812 human CML cells as well as SUP-B15 human acute lymphocyte leukemia (ALL) cells, with IC50 values of 0.21, 0.13 and 2.5 nM, respectively.
Substance Class Chemical
Created
by admin
on Sat Jun 26 02:43:19 UTC 2021
Edited
by admin
on Sat Jun 26 02:43:19 UTC 2021
Record UNII
KV1M7Q3CBP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OLVEREMBATINIB
INN  
Official Name English
BENZAMIDE, 4-METHYL-N-(4-((4-METHYL-1-PIPERAZINYL)METHYL)-3-(TRIFLUOROMETHYL)PHENYL)-3-(2-(1H-PYRAZOLO(3,4-B)PYRIDIN-5-YL)ETHYNYL)-
Common Name English
HQP1351
Code English
GZD-824
Code English
OLVEREMBATINIB [WHO-DD]
Common Name English
HQP-1351 FREE BASE
Code English
OLVEREMBATINIB [INN]
Common Name English
D-824
Code English
4-METHYL-N-(4-((4-METHYL-1-PIPERAZINYL)METHYL)-3-(TRIFLUOROMETHYL)PHENYL)-3-(2-(1H-PYRAZOLO(3,4-B)PYRIDIN-5-YL)ETHYNYL)BENZAMIDE
Systematic Name English
HQP-1351
Code English
HQP1351 FREE BASE
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 735620
Created by admin on Sat Jun 26 02:43:19 UTC 2021 , Edited by admin on Sat Jun 26 02:43:19 UTC 2021
Code System Code Type Description
PUBCHEM
51038269
Created by admin on Sat Jun 26 02:43:19 UTC 2021 , Edited by admin on Sat Jun 26 02:43:19 UTC 2021
PRIMARY
CAS
1257628-77-5
Created by admin on Sat Jun 26 02:43:19 UTC 2021 , Edited by admin on Sat Jun 26 02:43:19 UTC 2021
PRIMARY
NCI_THESAURUS
C165549
Created by admin on Sat Jun 26 02:43:19 UTC 2021 , Edited by admin on Sat Jun 26 02:43:19 UTC 2021
PRIMARY
FDA UNII
KV1M7Q3CBP
Created by admin on Sat Jun 26 02:43:19 UTC 2021 , Edited by admin on Sat Jun 26 02:43:19 UTC 2021
PRIMARY
INN
11221
Created by admin on Sat Jun 26 02:43:19 UTC 2021 , Edited by admin on Sat Jun 26 02:43:19 UTC 2021
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
nonphosphorylated form
Kd
TARGET -> INHIBITOR
nonphosphorylated form
Kd
Related Record Type Details
ACTIVE MOIETY