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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

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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

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 public comments)
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