ABT-702 5μM plus Deferoxamine 11μM R07 exp321

Inhibits adenosine kinase (ADK)

Class / Subclass 1: Metabolism / Metabolic Enzyme Inhibitor

ABT-702

Compound References

PubChem Name: Adenosine Kinase Inhibitor
Synonyms: N/A
CAS #: 1188890-28-9
PubChem CID: 16760265
IUPAC: 5-(3-bromophenyl)-7-(6-morpholin-4-ylpyridin-3-yl)pyrido[2,3-d]pyrimidin-4-amine;dihydrochloride
INCHI Name: InChI=1S/C22H19BrN6O.2ClH/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29;;/h1-5,10-13H,6-9H2,(H2,24,26,27,28);2*1H
INCHI Key: OOXNYFKPOPJIOT-UHFFFAOYSA-N
Molecular Weight: 536.2
Canonical SMILES: C1COCCN1C2=NC=C(C=C2)C3=NC4=NC=NC(=C4C(=C3)C5=CC(=CC=C5)Br)N.Cl.Cl
Isomeric SMILES: N/A
Molecular Formula: C22H21BrCl2N6O

Compound Supplier

Supplier Name: Tocris Bioscience
Catalog #: 2372
Lot #: 1B/195137

Compound Characterization

HRMS (ESI-TOF) m/z: (M+H)+ Calcd for C22H19BrN6O 463.08765; found 463.08744

Deferoxamine

Compound References

PubChem Name: Deferoxamine mesylate
Synonyms: Desferrioxamine B mesylate; DFOM; Desferrioxamine B mesylate;DFOM
CAS #: 138-14-7
PubChem CID: 62881
IUPAC: N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide;methanesulfonic acid
INCHI Name: InChI=1S/C25H48N6O8.CH4O3S/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26;1-5(2,3)4/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34);1H3,(H,2,3,4)
INCHI Key: IDDIJAWJANBQLJ-UHFFFAOYSA-N
Molecular Weight: 656.8
Canonical SMILES: CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O.CS(=O)(=O)O
Isomeric SMILES: N/A
Molecular Formula: C26H52N6O11S

Compound Supplier

Supplier Name: Sigma-Aldrich
Catalog #: D9533
Lot #: BCBV0071

Compound Characterization

HRMS (ESI-TOF) m/z: (M+H)+ Calcd for C25H48N6O8 561.36064; found 561.36098

ABT-702+Deferoxamine

Dose Response Curve

Platform ID: ABT-702
Min: -4.4284; Max: 61.7948

IC	Concentration (µM)
IC10	N/A
IC20	21.2789
IC30	28.6144
IC40	38.7761
IC50	N/A
IC60	N/A
IC70	N/A
IC80	N/A
IC90	N/A

The dose response curve for ABT-702 is also available at:

The dose response curve for Deferoxamine is also available at:

exp350

Screen Summary

Round: 07
Dose: 5µM + 11µM
Days of incubation: 8
Doublings: 1.6
Numbers of reads: 14246879

Sensitive/Resistant hits (FDR<0.05)	CRANKS	Score Plot	Top 30 Genes	Screen Similarity	Top 30 Sensitive GO terms	Top 30 Resistant GO terms
15/15	Scores	View	View	View	View	View

Gene	CRANKS Score	FDR
ETFDH	-3.54	<0.01
STARD7	-3.29	<0.01
COMMD5	-2.89	0.01
SLC11A2	-2.83	0.01
GTPBP2	-2.80	0.01
DHX36	-2.79	0.02
GLRX3	-2.66	0.02
NFS1	-2.66	0.26
POLE4	-2.64	0.02
ANKH	-2.59	0.02
HGS	-2.59	0.02
ETAA1	-2.50	0.03
ATR	-2.49	0.05
RBM26	-2.49	0.05
KPNA4	-2.48	0.03
COMMD2	-2.47	0.03
PCGF1	-2.44	0.04
YTHDF2	-2.41	0.04
RSRC2	-2.39	0.33
PAFAH1B2	-2.39	0.07
IREB2	-2.38	0.05
NUBP1	-2.36	0.07
CYB561A3	-2.36	0.07
SOD1	-2.36	0.07
FAM96B	-2.33	0.07
SRCAP	-2.33	0.14
POLE3	-2.31	0.06
SH3GL1	-2.30	0.15
KMT2D	-2.30	0.06
IKZF2	-2.30	0.06
YARS2	2.16	0.10
RGS19	2.19	0.09
ISCA1	2.19	0.09
MTG1	2.23	0.13
GLS	2.29	0.06
MRPS7	2.31	0.09
AHCYL1	2.31	0.09
C19orf43	2.32	0.09
KHDRBS1	2.33	0.06
MRPL1	2.35	0.09
WDR13	2.38	0.05
ZZZ3	2.40	0.05
PFKP	2.41	0.05
LRRC30	2.43	0.06
ZFR	2.51	0.05
ACAD9	2.53	0.04
HEATR3	2.56	0.05
METTL1	2.63	0.06
TIMM44	2.63	0.06
MIPEP	2.65	0.02
MRPS35	2.74	0.05
ZBTB2	2.77	0.05
MAT2B	2.77	0.01
TIMM23	2.83	0.01
NT5DC2	2.88	<0.01
TIMM23B	2.97	0.05
SLFN11	3.02	<0.01
UQCC2	3.15	0.01
TIMM17A	3.71	<0.01
ABCC1	4.05	<0.01

Screen	Correlation	Plot
Deferoxamine 11μM R07 exp350	0.082	View
Hydroxyurea 100μM R07 exp329	0.076	View
CoCl2 18μM R07 exp346	0.068	View
Cryptotanshinone 12μM R05 exp227	0.062	View
Quercetin 20μM R08 exp517	0.058	View
Bafilomycin-A1 0.009μM R08 exp454	0.053	View
ABT-702 5μM plus CoCl2 18μM R07 exp320	0.083	View

GO Term	Fold Change	Genes
epsilon DNA polymerase complex	331.58	POLE4,POLE3
metallo-sulfur cluster assembly	94.74	GLRX3,NFS1,NUBP1,CIAO2B
iron-sulfur cluster assembly	71.05	NFS1,NUBP1,CIAO2B
intracellular iron ion homeostasis	58.51	SLC11A2,GLRX3,IREB2,NUBP1,CYB561A3,SOD1
iron-sulfur cluster binding	49.49	ETFDH,GLRX3,NFS1,IREB2,NUBP1
metal cluster binding	49.49	ETFDH,GLRX3,NFS1,IREB2,NUBP1
4 iron, 4 sulfur cluster binding	47.37	ETFDH,IREB2,NUBP1
inorganic ion homeostasis	11.27	SLC11A2,GLRX3,ANKH,IREB2,NUBP1,CYB561A3,SOD1
intracellular monoatomic cation homeostasis	9.85	SLC11A2,GLRX3,IREB2,NUBP1,CYB561A3,SOD1
monoatomic cation homeostasis	9.73	SLC11A2,GLRX3,ANKH,IREB2,NUBP1,CYB561A3,SOD1
intracellular monoatomic ion homeostasis	9.63	SLC11A2,GLRX3,IREB2,NUBP1,CYB561A3,SOD1
monoatomic ion homeostasis	9.55	SLC11A2,GLRX3,ANKH,IREB2,NUBP1,CYB561A3,SOD1
cellular homeostasis	7.28	SLC11A2,GLRX3,ANKH,IREB2,NUBP1,CYB561A3,SOD1

GO Term	Fold Change	Genes
TIM23 mitochondrial import inner membrane translocase complex	147.37	TIMM17A,TIMM23B,TIMM23,TIMM44
protein import into mitochondrial matrix	116.34	TIMM17A,TIMM23B,TIMM23,TIMM44
protein transmembrane transporter activity	63.77	TIMM17A,TIMM23B,TIMM23
protein targeting to mitochondrion	46.05	TIMM17A,TIMM23B,TIMM23,MIPEP,TIMM44
intracellular protein transmembrane transport	40.94	TIMM17A,TIMM23B,TIMM23,TIMM44
establishment of protein localization to mitochondrion	38.38	TIMM17A,TIMM23B,TIMM23,MIPEP,TIMM44
protein localization to mitochondrion	34.11	TIMM17A,TIMM23B,TIMM23,MIPEP,TIMM44
protein transmembrane transport	33.49	TIMM17A,TIMM23B,TIMM23,TIMM44
mitochondrial translation	25.82	MRPS35,MRPL1,MRPS7,MTG1,YARS2
mitochondrial ribosome	25.12	MRPS35,MRPL1,MRPS7,MTG1
mitochondrial gene expression	19.88	MRPS35,MRPL1,MRPS7,MTG1,YARS2
mitochondrial transport	19.32	TIMM17A,TIMM23B,TIMM23,MIPEP,TIMM44
mitochondrial protein-containing complex	14.07	TIMM17A,TIMM23B,TIMM23,MRPS35,TIMM44,MRPL1,MRPS7
mitochondrial matrix	12.80	UQCC2,MRPS35,MIPEP,TIMM44,MRPL1,MRPS7,GLS,MTG1,ISCA1,YARS2,IBA57
mitochondrial inner membrane	12.04	TIMM17A,UQCC2,TIMM23B,TIMM23,MRPS35,TIMM44,ACAD9,MRPL1,MRPS7,MTG1
organelle inner membrane	10.81	TIMM17A,UQCC2,TIMM23B,TIMM23,MRPS35,TIMM44,ACAD9,MRPL1,MRPS7,MTG1
mitochondrion organization	9.19	TIMM17A,UQCC2,TIMM23B,TIMM23,MIPEP,TIMM44,ACAD9
mitochondrial envelope	7.35	TIMM17A,UQCC2,TIMM23B,TIMM23,MRPS35,TIMM44,ACAD9,MRPL1,MRPS7,MTG1
mitochondrial membrane	7.04	TIMM17A,UQCC2,TIMM23B,TIMM23,MRPS35,TIMM44,ACAD9,MRPL1,MTG1

ABT-702 5μM plus Deferoxamine 11μM R07 exp321

Mechanism of Action

Technical Notes

ABT-702

Compound References

Compound Supplier

Compound Characterization

Deferoxamine

Compound References

Compound Supplier

Compound Characterization

ABT-702+Deferoxamine

Dose Response Curve

Screen Summary

Screen Results