AICAR 240μM R03 exp116

Metabolic intermediate in purine biosynthesis, activates AMPK, has other putative targets

Class / Subclass 1: Metabolism / Metabolite
Class / Subclass 2: Signal Transduction / Kinase Activator

Compound References

PubChem Name: Acadesine
Synonyms: Acadesine; AICA Riboside
CAS #: 2627-69-2
PubChem CID: 17513
IUPAC: 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
INCHI Name: InChI=1S/C9H14N4O5/c10-7-4(8(11)17)12-2-13(7)9-6(16)5(15)3(1-14)18-9/h2-3,5-6,9,14-16H,1,10H2,(H2,11,17)/t3-,5-,6-,9-/m1/s1
INCHI Key: RTRQQBHATOEIAF-UUOKFMHZSA-N
Molecular Weight: 258.23
Canonical SMILES: C1=NC(=C(N1C2C(C(C(O2)CO)O)O)N)C(=O)N
Isomeric SMILES: C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N
Molecular Formula: C9H14N4O5

Compound Supplier

Supplier Name: AK scientific
Catalog #: AMTNS043
Lot #: DM-079-143-2

Compound Characterization

LCMS: Tr 0.15 min, m/z 259+ [M+H]+, 257- [M-H]-

Dose Response Curve

Platform ID: AICAR
Min: -11.2747; Max: 24.1473

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

Screen Summary

Round: 03
Dose: 240µM
Days of incubation: 8
Doublings: 1.9
Numbers of reads: 10607864

Sensitive/Resistant hits (FDR<0.05)	CRANKS	Score Plot	Top 30 Genes	Screen Similarity	Top 30 Sensitive GO terms	Top 30 Resistant GO terms
4/108	Scores	View	View	View	View	View

Gene	CRANKS Score	FDR
UCK2	-4.05	<0.01
HCFC1	-3.67	0.17
NT5C2	-2.90	0.02
FAM122A	-2.68	0.04
NRAS	-2.65	0.04
C7orf60	-2.55	0.11
CLK3	-2.53	0.07
GNA13	-2.48	0.07
TCF4	-2.41	0.17
PROSER1	-2.39	0.16
ACIN1	-2.37	0.16
IRF4	-2.35	0.16
NKAP	-2.33	0.20
ING3	-2.32	0.14
MCM5	-2.32	0.47
PLD2	-2.32	0.17
KPNB1	-2.31	0.59
DRC1	-2.30	0.14
CTC1	-2.27	0.17
BTK	-2.26	0.16
TTC27	-2.25	0.26
DCLRE1B	-2.21	0.16
SMG7	-2.21	0.36
C9orf41	-2.20	0.27
IP6K1	-2.16	0.17
ERG	-2.14	0.23
ACSM1	-2.14	0.17
BICD1	-2.12	0.17
BCL2	-2.12	0.17
KEAP1	-2.09	0.18
GLRX5	3.65	<0.01
PIK3CD	3.83	<0.01
SLC19A1	3.85	<0.01
FAF2	3.86	<0.01
TP53	3.96	<0.01
RICTOR	3.99	<0.01
CD19	4.04	<0.01
HEATR3	4.05	<0.01
BCL2L11	4.13	<0.01
SLC25A51	4.19	<0.01
NFU1	4.23	<0.01
UBE2H	4.42	<0.01
MARCH5	4.71	<0.01
MTHFD1L	4.73	<0.01
MAPKAP1	4.89	<0.01
SHMT2	5.14	<0.01
SLC25A32	5.30	<0.01
VDAC2	5.37	<0.01
MTHFD2	5.41	<0.01
YPEL5	5.57	<0.01
MTRR	5.85	<0.01
IMPDH2	5.89	<0.01
YLPM1	6.11	<0.01
BAK1	6.13	<0.01
MMACHC	6.57	<0.01
ADSS	7.31	<0.01
MTR	7.47	<0.01
AK2	8.26	<0.01
NUDT2	8.48	<0.01
ADK	8.50	<0.01

Screen	Correlation	Plot
AICAR 240μM R05 exp211	0.209	View
MS023 2μM R03 exp134	0.154	View
MS023 7μM R03 exp135	0.129	View
GSK626616 14μM R08 exp485	0.118	View
Aphidicolin 0.4μM R08 exp440	0.113	View
Benzoate 20000μM R08 exp456	0.104	View
Hippuristanol 0.12μM R08 exp488	0.102	View
Trimetrexate 0.03μM R08 exp535	0.099	View
Ethanol 0.01 R05 exp234	0.093	View
Olaparib 4μM R08 exp512	0.091	View
JQ1 0.8μM R08 exp435	0.09	View
Actinomycin-D 0.001μM R00 exp3	0.087	View
Nutlin-3A 1.6μM R06 exp294	0.084	View
Hippuristanol 0.12μM R08 exp489 no dilution day6	0.083	View
UM0129480 7μM R02 exp85	0.078	View
SNS-032 15μM R08 exp443	0.075	View
Sulforaphane 9μM R08 exp526 no dilution day6	0.074	View
Artemisinin 50μM R08 exp450	0.073	View
Rucaparib 6.5μM R08 exp520	0.073	View
RO-3307 4.7μM R02 exp80	0.072	View
iCRT14 30μM R08 exp492	0.069	View
Mitomycin-C 0.06μM R08 exp503	0.069	View
ML-792 0.2μM R08 exp505	0.068	View
Sulforaphane 9μM R08 exp525	0.068	View
CI-1040 9.5μM R08 exp472	0.068	View
Citral 50μM R06 exp274	0.065	View
CR131-b 0.005μM R08 exp474	0.063	View
Dinaciclib 0.007μM R07 exp355	0.061	View
Etoposide 0.3μM R05 exp199	0.061	View
Atovaquone 15μM R08 exp451	0.06	View
GSK-J4 1.5μM R08 exp441	0.059	View
Dorsomorphin 5μM R07 exp357	0.059	View
Bleomycin 5μM R08 exp459	0.055	View
Lead acetate 2000μM R08 exp498 no dilution day6	0.054	View
Quercetin 20μM R08 exp517	0.054	View
GSK-J4 1-1.25μM to day4 R07 exp363	0.054	View
MLN-4924 0.2μM R00 exp21	0.054	View
Doxorubicin 0.02μM R08 exp478	0.054	View
Arsenate 40μM R06 exp264	0.053	View
Diepoxybutane 3μM R07 exp354	0.053	View
Latrunculin-B 10μM R07 exp374	0.053	View
QNZ 0.01μM R08 exp439	0.052	View
Thimerosal 0.85μM R08 exp529	0.052	View
Staurosporine 0.02μM R08 exp524	0.051	View
5-Fluorouracil 20μM R00 exp2	0.072	View
6-Thio-2-deoxyguanosine 2μM R06 exp259	0.063	View

GO Term	Fold Change	Genes
tetrahydrofolate interconversion	207.24	MTHFD2,SHMT2,MTHFD1L
tetrahydrofolate metabolic process	157.90	MTR,MTHFD2,SHMT2,MTHFD1L
folic acid metabolic process	157.90	MTHFD2,SLC25A32,SHMT2,SLC19A1
folic acid-containing compound metabolic process	132.63	MTR,MTRR,MTHFD2,SHMT2,MTHFD1L,SLC19A1
pteridine-containing compound metabolic process	124.79	MTR,MTRR,MTHFD2,SLC25A32,SHMT2,MTHFD1L,SLC19A1
purine ribonucleoside monophosphate biosynthetic process	122.81	ADK,NUDT2,ADSS2,IMPDH2
purine nucleoside monophosphate biosynthetic process	110.53	ADK,NUDT2,ADSS2,IMPDH2
AMP metabolic process	100.48	ADK,NUDT2,AK2,ADSS2
positive regulation of mitochondrial membrane permeability	78.95	BAK1,VDAC2,BCL2L11,TP53
positive regulation of membrane permeability	71.31	BAK1,VDAC2,BCL2L11,TP53
purine ribonucleoside monophosphate metabolic process	69.08	ADK,NUDT2,AK2,ADSS2,IMPDH2
water-soluble vitamin metabolic process	66.70	MTR,MMACHC,MTRR,MTHFD2,SLC25A32,SHMT2,SLC19A1
purine nucleoside monophosphate metabolic process	65.79	ADK,NUDT2,AK2,ADSS2,IMPDH2
ribonucleoside monophosphate biosynthetic process	65.02	ADK,NUDT2,ADSS2,IMPDH2
ribonucleoside monophosphate metabolic process	46.83	ADK,NUDT2,AK2,ADSS2,IMPDH2
dicarboxylic acid metabolic process	43.96	ADSS2,MTRR,MTHFD2,SLC25A32,SHMT2,MTHFD1L,SLC19A1
vitamin metabolic process	39.88	MTR,MMACHC,MTRR,MTHFD2,SLC25A32,SHMT2,SLC19A1
nucleoside monophosphate metabolic process	36.36	ADK,NUDT2,AK2,ADSS2,IMPDH2
cellular modified amino acid metabolic process	33.93	MTR,MTRR,MTHFD2,SLC25A32,SHMT2,MTHFD1L,SLC19A1

AICAR 240μM R03 exp116

Mechanism of Action

Technical Notes

Compound References

Compound Supplier

Compound Characterization

Dose Response Curve

Screen Summary

Screen Results