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Asciminib | Asciminib : Allosteric inhibitor of ABL1
RATINGS:
Cellular Use: (3 reviews)

In Model Organisms: (3 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
ABL1
  • Kd:0.5-0.8 nM
  • IC50:0.25 nM
Allosteric
up to 1 uM
up to 250 nM

Selectivity

In Vitro Selectivity Assessment
Selectivity Assessment Description:
ABL001 lacks activity against more than 60 kinases, including SRC. Inactive against G-protein-cou ...
In Cell Selectivity Assessment
Selectivity Assessment Description:
Cellular activity of ABL001was determined in 450 cancer cell lines from the Cancer Cell Line Ency ...

Potency
Cellular
In Vitro

ABL1

Mode of Action: Allosteric

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1038/nature21702

In Vivo Validations

Mouse, Rat, Dog
Dose: 1 (M), 2(R), 1(D) mg/Kg IV, 30 (M), 30 (R), 15 (D) 30 mg/Kg PO
Route of delivery: Intravenous, Oral
Plasma half life: 1.1(M), 2.7(R), 3.7(D) h
Systemic clearance: 12 (M), 16 (R), 6 (D) mL/min/kg

DOI Reference: 10.1038/nature21702

Orthogonal Probes def

IMATINIB
BAFETINIB
GNF-5

Chemical Information

Molecular Formula C20H18ClF2N5O3
SMILEs O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cc[nH]n2)c1
InChI 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 weight 449.11 Da
AlogP 0.0
HBond acceptors 8
HBond donors 3
Atoms 49

References

Publications

Cross References

canSARChEMBLBindingDBPubMed

Vendors

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Expert Reviews

by SERP
(on 29 Dec 2020 )
Cellular Use Rating
In Model Organisms
ABL001 (Asciminib) is an allosteric inhibitor of ABL kinase, and binds the myristate pocket similar to previous generations of allosteric inhibitors such as GNF-2 and GNF-5. ABL001 is ~100-fold more...
by SERP
(on 19 Jan 2021 )
Cellular Use Rating
In Model Organisms
NMR and X-Ray crystallography studies confirmed that ABL001 binds to a pocket on the BCR-ABL kinase domain that is normally occupied by the myristoylated N-terminus of ABL1. Upon fusion with BCR, this...
by SERP
(on 18 Feb 2021 )
Cellular Use Rating
In Model Organisms
( The reviewer did not leave any comments )
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