Tubacin 1.6μM R07 exp416

Inhibits HDAC6 selectively

PubChem Name: Tubacin
Synonyms: N/A
CAS #: 537049-40-4
PubChem CID: 6675804
IUPAC: N-[4-[(2R,4R,6S)-4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]-N'-hydroxyoctanediamide
INCHI Name: InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1
INCHI Key: BHUZLJOUHMBZQY-YXQOSMAKSA-N
Molecular Weight: 721.9
Canonical SMILES: C1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NC(=O)CCCCCCC(=O)NO)CSC4=NC(=C(O4)C5=CC=CC=C5)C6=CC=CC=C6
Isomeric SMILES: C1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NC(=O)CCCCCCC(=O)NO)CSC4=NC(=C(O4)C5=CC=CC=C5)C6=CC=CC=C6
Molecular Formula: C41H43N3O7S

Sensitive/Resistant hits (FDR<0.05)	CRANKS	Score Plot	Top 30 Genes	Screen Similarity	Top 30 Sensitive GO terms	Top 30 Resistant GO terms
71/71	Scores	View	View	View	View	View

Screen	Correlation	Plot
UM0125461 0.74μM R02 exp84	0.149	View
Vemurafenib 6.6μM R08 exp434	0.077	View
Vemurafenib 6.6μM R02 exp89	0.074	View
Dynasore 10μM R04 exp180	0.107	View
Artemisinin 50μM R08 exp450	0.084	View
Dynasore 7μM R08 exp436	0.083	View
Genistein 15μM R07 exp360	0.078	View
Docosahexaenoic-acid 50μM R07 exp356	0.077	View
Hydroxyurea 100μM R07 exp329	0.077	View
Thimerosal 0.85μM R08 exp529	0.076	View
Quercetin 20μM R08 exp517	0.069	View
BH1 1μM R04 exp169	0.066	View
TRAIL 5ng/ml R00 exp35	0.062	View
Q15 1 to 2μM on day4 R04 exp164	0.062	View
BS-181 20μM R08 exp461	0.062	View
CB-5083 0.4μM R08 exp468	0.062	View
Cryptotanshinone 12μM R05 exp227	0.062	View
Bortezomib 0.005μM R00 exp6	0.058	View
Thapsigargin 0.005μM R07 exp407	0.057	View
Bafilomycin-A1 0.009μM R08 exp454	0.055	View
GSK626616 14μM R08 exp485	0.055	View
TRAIL 50ng/ml R00 exp36	0.054	View
Oligomycin-A 2μM R00 exp25	0.054	View
Lead acetate 2000μM R08 exp497	0.053	View
∆-9-Tetrahydrocannabinol 30μM R08 exp445	0.051	View
PU-H71 1μM R08 exp515	0.051	View
Cannabidiol 20μM R08 exp466	0.051	View
Hippuristanol 0.12μM R08 exp489 no dilution day6	0.051	View
Clomiphene 4.4μM R02 exp68	0.051	View
I-BRD9 4μM R07 exp365	0.051	View

GO Term	Fold Change	Genes
acyl-CoA desaturase activity	368.42	FADS1,FADS2
protoporphyrinogen IX metabolic process	221.05	HMBS,ALAS1,ALAD,FECH
protoporphyrinogen IX biosynthetic process	207.24	HMBS,ALAS1,ALAD
Ino80 complex	127.53	NFRKB,TFPT,UCHL5
positive regulation of telomere maintenance in response to DNA damage	127.53	NFRKB,TFPT,UCHL5
regulation of DNA strand elongation	110.53	NFRKB,TFPT,UCHL5
regulation of telomere maintenance in response to DNA damage	97.52	NFRKB,TFPT,UCHL5
heme biosynthetic process	88.42	HMBS,ALAS1,ALAD,FECH
porphyrin-containing compound biosynthetic process	78.95	HMBS,ALAS1,ALAD,FECH
tetrapyrrole biosynthetic process	78.95	HMBS,ALAS1,ALAD,FECH
INO80-type complex	69.08	NFRKB,TFPT,UCHL5
heme metabolic process	56.68	HMBS,ALAS1,ALAD,FECH
pigment biosynthetic process	53.92	HMBS,ALAS1,ALAD,FECH
porphyrin-containing compound metabolic process	48.06	HMBS,ALAS1,ALAD,FECH
unsaturated fatty acid biosynthetic process	44.81	FADS1,DEGS1,FADS2
tetrapyrrole metabolic process	40.94	HMBS,ALAS1,ALAD,FECH
pigment metabolic process	34.54	HMBS,ALAS1,ALAD,FECH
erythrocyte differentiation	23.52	IKZF1,SPI1,ALAS1,FECH
erythrocyte homeostasis	21.46	IKZF1,SPI1,ALAS1,FECH