Calcium Ionophore 0.4μM R07 exp342

Calcium ionophore

Class / Subclass 1: Infectious Disease / Antibiotic
Class / Subclass 2: Organelle Function / Membrane Ionophore

Compound References

PubChem Name: Calcium ionophore A23187
Synonyms: A-23187; Antibiotic A-23187
CAS #: 52665-69-7
PubChem CID: 11957499
IUPAC: 5-(methylamino)-2-[[(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid
INCHI Name: InChI=1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16-,17-,18-,22-,27+,29+/m1/s1
INCHI Key: HIYAVKIYRIFSCZ-CYEMHPAKSA-N
Molecular Weight: 523.6
Canonical SMILES: CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC
Isomeric SMILES: C[C@@H]1CC[C@]2([C@@H](C[C@H]([C@H](O2)[C@H](C)C(=O)C3=CC=CN3)C)C)O[C@@H]1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC
Molecular Formula: C29H37N3O6

Compound Supplier

Supplier Name: Sigma-Aldrich
Catalog #: C7522
Lot #: 037M4005V

Compound Characterization

HRMS (ESI-TOF) m/z: (M+H)+ Calcd for C29H37N3O6 524.27551; found 524.27274

Dose Response Curve

Platform ID: Ca_Ionophore_A23187
Min: -7.3147; Max: 99.7771

IC	Concentration (µM)
IC10	N/A
IC20	0.2509
IC30	0.3503
IC40	0.4698
IC50	0.6220
IC60	N/A
IC70	N/A
IC80	N/A
IC90	N/A

Screen Summary

Round: 07
Dose: 400nM
Days of incubation: 8
Doublings: 4.6
Numbers of reads: 29297319

Sensitive/Resistant hits (FDR<0.05)	CRANKS	Score Plot	Top 30 Genes	Screen Similarity	Top 30 Sensitive GO terms	Top 30 Resistant GO terms
7/13	Scores	View	View	View	View	View

Gene	CRANKS Score	FDR
GOT1	-3.34	<0.01
FDFT1	-2.85	0.02
FDPS	-2.79	0.02
PRKAG1	-2.76	0.02
PBRM1	-2.74	0.02
KRTAP4-12	-2.63	0.03
HSD17B12	-2.55	0.14
COX7A2L	-2.52	0.05
SEPHS2	-2.46	0.06
EIF5B	-2.44	0.57
RSRC2	-2.33	0.61
ENO1	-2.32	0.16
ME2	-2.28	0.14
PLA2G2A	-2.26	0.14
MOB1A	-2.25	0.14
TCF4	-2.20	0.16
BCL2	-2.19	0.16
UBE2I	-2.16	0.30
MRS2	-2.15	0.30
CUL5	-2.12	0.32
DHX33	-2.11	0.47
SPATS2L	-2.11	0.23
ABCB7	-2.09	0.23
LEF1	-2.09	0.23
GSN	-2.09	0.35
PIAS4	-2.04	0.39
PARL	-2.03	0.39
UXS1	-2.02	0.30
DHX29	-1.97	0.35
EEFSEC	-1.93	0.39
NDUFA11	2.28	0.09
C16orf80	2.30	0.13
MEIS3	2.33	0.07
PCYT1A	2.34	0.05
TSFM	2.34	0.05
MBTPS2	2.36	0.07
DPH1	2.38	0.05
EBF1	2.40	0.06
STARD7	2.40	0.06
NDUFB9	2.41	0.06
RSF1	2.41	0.09
NDUFV1	2.42	0.09
SLC7A1	2.46	0.06
NDUFA2	2.50	0.05
ZNF217	2.53	0.05
POU2F1	2.57	0.06
EIF2AK1	2.65	0.03
NDUFS5	2.65	0.05
CXorf56	2.68	0.03
YLPM1	2.79	0.04
C12orf49	2.80	<0.01
NANS	3.04	<0.01
NFU1	3.12	<0.01
EIF4A1	3.19	<0.01
NDUFB11	3.43	<0.01
AMD1	3.57	<0.01
MICU1	3.77	<0.01
SCAP	4.06	<0.01
RBM26	4.14	<0.01
ATP2B1	4.53	<0.01

Screen	Correlation	Plot
Oligomycin-A 2μM R00 exp25	0.095	View
Lead acetate 2000μM R08 exp497	0.082	View
Genistein 15μM R07 exp360	0.076	View
iCRT14 30μM R08 exp492	0.069	View
Lead acetate 2000μM R08 exp498 no dilution day6	0.068	View
Hydroxyurea 100μM R07 exp329	0.059	View
HMS-I2 10μM R06 exp288	0.056	View
QNZ 0.01μM R05 exp241	0.055	View
Thapsigargin 0.005μM R07 exp407	0.055	View
Tubastatin-A 2.5μM R07 exp417	0.054	View
Rapamycin 2μM plus Cyclosporin-A 3μM R07 exp307	0.052	View
Pterostilbene 16μM R02 exp78	0.051	View
Artemisinin 50μM R08 exp450	0.066	View
Atovaquone 15μM R08 exp451	0.056	View

GO Term	Fold Change	Genes
NADH dehydrogenase complex	94.35	NDUFB11,NDUFS5,NDUFA2,NDUFV1,NDUFB9,NDUFA11,NDUFA1
respiratory chain complex I	94.35	NDUFB11,NDUFS5,NDUFA2,NDUFV1,NDUFB9,NDUFA11,NDUFA1
mitochondrial respiratory chain complex I	92.11	NDUFB11,NDUFS5,NDUFA2,NDUFV1,NDUFB9,NDUFA11,NDUFA1
NADH dehydrogenase complex assembly	74.39	NDUFB11,NDUFS5,NDUFA2,NDUFB9,NDUFA11,NUBPL,NDUFA1
mitochondrial respiratory chain complex I assembly	74.39	NDUFB11,NDUFS5,NDUFA2,NDUFB9,NDUFA11,NUBPL,NDUFA1
proton motive force-driven ATP synthesis	64.47	NDUFB11,NDUFS5,NDUFA2,NDUFV1,NDUFB9,NDUFA11,NDUFA1
proton motive force-driven mitochondrial ATP synthesis	62.56	NDUFS5,NDUFA2,NDUFV1,NDUFB9,NDUFA11,NDUFA1
ATP biosynthetic process	55.26	NDUFB11,NDUFS5,NDUFA2,NDUFV1,NDUFB9,NDUFA11,NDUFA1
respiratory chain complex	52.28	NDUFB11,NDUFS5,NDUFA2,NDUFV1,NDUFB9,NDUFA11,NDUFA1
mitochondrial respirasome	51.58	NDUFB11,NDUFS5,NDUFA2,NDUFV1,NDUFB9,NDUFA11,NDUFA1
purine ribonucleoside triphosphate biosynthetic process	47.76	NDUFB11,NDUFS5,NDUFA2,NDUFV1,NDUFB9,NDUFA11,NDUFA1
purine nucleoside triphosphate biosynthetic process	47.18	NDUFB11,NDUFS5,NDUFA2,NDUFV1,NDUFB9,NDUFA11,NDUFA1
respirasome	47.18	NDUFB11,NDUFS5,NDUFA2,NDUFV1,NDUFB9,NDUFA11,NDUFA1
ribonucleoside triphosphate biosynthetic process	44.98	NDUFB11,NDUFS5,NDUFA2,NDUFV1,NDUFB9,NDUFA11,NDUFA1
mitochondrial respiratory chain complex assembly	44.46	NDUFB11,NDUFS5,NDUFA2,NDUFB9,NDUFA11,NUBPL,NDUFA1
nucleoside triphosphate biosynthetic process	41.15	NDUFB11,NDUFS5,NDUFA2,NDUFV1,NDUFB9,NDUFA11,NDUFA1
oxidative phosphorylation	39.08	NDUFB11,NDUFS5,NDUFA2,NDUFV1,NDUFB9,NDUFA11,NDUFA1
oxidoreductase complex	34.23	NDUFB11,NDUFS5,NDUFA2,NDUFV1,NDUFB9,NDUFA11,NDUFA1
inner mitochondrial membrane protein complex	33.24	MICU1,NDUFB11,NDUFS5,NDUFA2,NDUFV1,NDUFB9,NDUFA11,NDUFA1

Calcium Ionophore 0.4μM R07 exp342

Mechanism of Action

Technical Notes

Compound References

Compound Supplier

Compound Characterization

Dose Response Curve

Screen Summary

Screen Results