Doxorubicin 0.02μM R08 exp478

DNA intercalator, traps topoisomerase II complex

Class / Subclass 1: DNA Damage, Repair and Replication / Topoisomerase II Inhibitor
Class / Subclass 2: Infectious Disease / Antibiotic

Compound References

PubChem Name: Doxorubicin Hydrochloride
Synonyms: Hydroxydaunorubicin (hydrochloride)
CAS #: 25316-40-9
PubChem CID: 443939
IUPAC: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
INCHI Name: InChI=1S/C27H29NO11.ClH/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;1H/t10-,13-,15-,17-,22+,27-;/m0./s1
INCHI Key: MWWSFMDVAYGXBV-RUELKSSGSA-N
Molecular Weight: 580
Canonical SMILES: CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O.Cl
Isomeric SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O.Cl
Molecular Formula: 2-His 266)

Compound Supplier

Supplier Name: Med Chem Express
Catalog #: HY-15142
Lot #: 33687

Compound Characterization

HRMS (ESI-TOF) m/z: (M+H)+ Calcd for C27H29NO11 544.18134; found 544.18415

Dose Response Curve

Platform ID: Doxorubicin
Min: 3.3117; Max: 99.6172

IC	Concentration (µM)
IC10	0.0068
IC20	0.0126
IC30	0.0190
IC40	0.0266
IC50	0.0362
IC60	0.0492
IC70	0.0688
IC80	0.1036
IC90	0.1916

Screen Summary

Round: 08
Dose: 20nM
Days of incubation: 8
Doublings: 0.5
Numbers of reads: 16631623

Sensitive/Resistant hits (FDR<0.05)	CRANKS	Score Plot	Top 30 Genes	Screen Similarity	Top 30 Sensitive GO terms	Top 30 Resistant GO terms
0/75	Scores	View	View	View	View	View

Gene	CRANKS Score	FDR
COPB2	-3.37	0.12
CDK1	-3.13	0.08
CDC20	-2.70	0.20
NHEJ1	-2.64	0.08
LIG4	-2.61	0.13
CCNA2	-2.55	0.19
PSMD14	-2.54	0.43
CHMP2A	-2.52	0.30
TSC1	-2.49	0.15
RPL38	-2.49	0.20
SMG7	-2.47	0.15
ESPL1	-2.43	0.39
TMEM30A	-2.35	0.15
RFC1	-2.35	0.43
AKAP12	-2.34	0.20
COPB1	-2.29	0.43
PAN2	-2.28	0.18
UBA1	-2.27	0.52
NAPA	-2.21	0.48
TBCC	-2.19	0.54
RPL34	-2.16	0.50
PSMA1	-2.15	0.43
TSC2	-2.15	0.23
C15orf52	-2.14	0.23
TNPO3	-2.12	0.51
PPP1R7	-2.10	0.28
KPNB1	-2.08	0.52
ZFYVE16	-2.07	0.43
DNMT3A	-2.05	0.33
HIST1H1B	-2.03	0.34
DOHH	2.86	<0.01
ROMO1	2.89	<0.01
WDR24	2.91	<0.01
HYPK	2.99	<0.01
FBXO11	3.02	0.00
ATP5A1	3.06	<0.01
ATP5B	3.08	0.00
FAF2	3.08	<0.01
GFPT1	3.10	<0.01
NSD1	3.11	<0.01
HSPA4	3.14	0.00
EIF3F	3.15	0.00
USO1	3.15	0.00
UBQLN1	3.35	0.00
CYCS	3.41	0.00
YWHAE	3.59	0.00
HCCS	3.72	0.00
COPS7B	3.76	0.00
RPTOR	3.84	0.00
TP53	4.07	0.00
APAF1	4.19	0.00
PKMYT1	4.28	0.00
EIF4A1	4.33	0.00
MARCH5	4.57	0.00
PLAA	4.73	0.00
CASP9	4.85	0.00
NAA15	5.57	0.00
BAK1	5.93	0.00
TOP2A	6.09	0.00
TOP2B	7.74	0.00

Screen	Correlation	Plot
Etoposide 0.3μM R05 exp199	0.198	View
THZ1 0.06μM R08 exp531	0.146	View
MS023 7μM R03 exp135	0.138	View
Mitomycin-C 0.06μM R08 exp503	0.127	View
SNS-032 15μM R08 exp443	0.109	View
Pyridostatin 4μM R05 exp240	0.108	View
RO-3307 4.7μM R02 exp80	0.107	View
PU-H71 1μM R08 exp515	0.106	View
Rotenone 20μM R00 exp34	0.098	View
Staurosporine 0.02μM R08 exp524	0.093	View
Pimelic-diphenylamide-106 5μM R00 exp28	0.092	View
UM131593 0.2μM R03 exp106	0.09	View
Hippuristanol 0.12μM R08 exp488	0.09	View
Etoposide 1μM R00 exp19	0.087	View
Hippuristanol 0.12μM R08 exp489 no dilution day6	0.081	View
Etoposide 0.1μM R05 exp198	0.077	View
Olaparib 4μM R08 exp512	0.076	View
MLN-4924 2μM R00 exp22	0.074	View
JQ1 0.8μM R08 exp435	0.072	View
Tanespimycin 14μM R08 exp527	0.069	View
Thimerosal 0.85μM R08 exp529	0.063	View
GSK461364A 0.1μM R03 exp126	0.062	View
GSK626616 14μM R08 exp485	0.062	View
MS023 2μM R03 exp134	0.06	View
Latrunculin-B 10μM R07 exp374	0.059	View
GSK-J4 1.5μM R08 exp441	0.057	View
LLY-283 2.6μM R06 exp290	0.055	View
Genistein 15μM R07 exp360	0.054	View
Vinblastine 0.2μM R03 exp108	0.053	View
Tozasertib 0.1μM R07 exp414	0.052	View
Milciclib 2μM R08 exp502	0.051	View
TIC10 10μM R08 exp532	0.051	View
UM0129480 7μM R02 exp85	0.051	View
Bleomycin 5μM R08 exp459	0.152	View
CI-1040 9.5μM R08 exp472	0.13	View
Actinomycin-D 0.001μM R00 exp3	0.124	View
Benzoate 20000μM R08 exp456	0.122	View
5-Fluorouracil 20μM R00 exp2	0.121	View
Aphidicolin 0.4μM R08 exp440	0.109	View
Atovaquone 15μM R08 exp451	0.103	View
6-Thio-2-deoxyguanosine 2μM R06 exp259	0.096	View
CR131-b 0.005μM R08 exp474	0.093	View
AICAR 240μM R05 exp211	0.087	View
Dorsomorphin 5μM R07 exp357	0.084	View
CB-5083 0.4μM R08 exp468	0.084	View
Artemisinin 50μM R08 exp450	0.083	View
Ammonium tetrathiomolybdate 10μM R08 exp448	0.081	View
BI-2536 0.02μM R03 exp96	0.075	View
42°C R08 exp539	0.073	View
Deferoxamine 11μM R07 exp350	0.067	View
∆-9-Tetrahydrocannabinol 30μM R08 exp445	0.064	View
Dinaciclib 0.007μM R07 exp355	0.06	View
BI-6727 0.04μM R03 exp98	0.058	View
AICAR 240μM R03 exp116	0.054	View
DABN racemic mixture R03 exp93	0.054	View
Centrinone 0.5μM R07 exp343	0.053	View
DABN 20μM R00 exp17	0.051	View

GO Term	Fold Change	Genes
DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) activity	552.30	TOP2B,TOP2A
apoptosome	552.30	CASP9,APAF1
angiostatin binding	368.20	ATP5F1B,ATP5F1A
activation of cysteine-type endopeptidase activity involved in apoptotic process by cytochrome c	331.38	CASP9,APAF1,CYCS
mitochondrial proton-transporting ATP synthase complex, catalytic sector F(1)	276.15	ATP5F1B,ATP5F1A
intrinsic apoptotic signaling pathway	17.26	BAK1,CASP9,APAF1,TP53,CYCS

Doxorubicin 0.02μM R08 exp478

Mechanism of Action

Technical Notes

Compound References

Compound Supplier

Compound Characterization

Dose Response Curve

Screen Summary

Screen Results