Chemical Probes logo
ABBV-744 | Inhibitor of BRD2, BRD4, BRD3, BRDT
RATINGS:
Cellular Use: (3 reviews)

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

Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
BRD2
  • Ki:4.6 nM BD2
  • IC50:11 nM (LNCaP); 9 nM (MDA-PCa-2B); 18 nM (MDV-R)
BRD4
  • Ki:1.6 nM BD2
  • IC50:27.5
BRD3
  • Ki:4.9 nM BD2
  • IC50:11 nM (LNCaP); 9 nM (MDA-PCa-2B); 18 nM (MDV-R)
BRDT
  • Ki:1 nM
  • IC50:11 nM (LNCaP); 9 nM (MDA-PCa-2B); 18 nM (MDV-R)
Inhibitor
up to 100 nM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
ABBV-744 potently inhibited the BD2 domain of BET family proteins with more than 290 fold selectivit ...
Selectivity Assessment Description:
ABBV-744 lacked significant activity against 75 kinases and 22 bromodomain-containing proteins that ...
In Cell Selectivity Assessment

Potency: IC50 - BRD2 BD1 2449 nM, BRD4 BD1 2006 nM, BRDt BD1 1835 nM, BRD3 BD3 7501 nM

Potency Assay Off-Target:
nanoBRET and TR-FRET

Potency
Cellular
In Vitro

BRD2

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1021/acs.jmedchem.0c00628

BRD4

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1021/acs.jmedchem.0c00628

BRD3

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1021/acs.jmedchem.0c00628

BRDT

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1021/acs.jmedchem.0c00628

In Vivo Validations

Mouse
Dose: 1 mg/kg
Route of delivery: Oral
Plasma half life: 2.8 h

DOI Reference: 10.1021/acs.jmedchem.0c00628

Orthogonal Probes def

GSK973
GSK620
GSK046

Chemical Information

Molecular Formula C28H30FN3O4
SMILEs CCNC(=O)c1cc2c(-c3cc(C(C)(C)O)ccc3Oc3c(C)cc(F)cc3C)cn(C)c(=O)c2[nH]1
InChI InChI=1S/C28H30FN3O4/c1-7-30-26(33)22-13-20-21(14-32(6)27(34)24(20)31-22)19-12-17(28(4,5)35)8-9-23(19)36-25-15(2)10-18(29)11-16(25)3/h8-14,31,35H,7H2,1-6H3,(H,30,33)
Molecular weight 491.22 Da
AlogP 5.05894
HBond acceptors 7
HBond donors 3
Atoms 66

Vendors

Note: This is not an exhaustive list and does not indicate endorsement by the portal.

Expert Reviews

by SERP
(on 19 May 2020 )
Cellular Use Rating
In Model Organisms
( The reviewer did not leave any comments )
by SERP
(on 4 Jun 2020 )
Cellular Use Rating
In Model Organisms
ABBV-744 is an excellent chemical probe for studies on the second bromodomain (BD2) of BET bromodomain proteins. The inhibitor is based on the panBET bromodomain inhibitor ABBV-075 (mivebresib) which...
by SERP
(on 27 Oct 2020 )
Cellular Use Rating
In Model Organisms
( The reviewer did not leave any comments )
Note: The Chemical Probes Portal only endorses compounds as chemical probes for use as specific and selective modulators of the proposed target if they receive three or more (3-4) stars. Read more about our evaluation criteria