Docetaxel 0.002μM R01 exp45

Inihibts microtubule depolymerization, semi-synthetic analog of the paclitaxel

Class / Subclass 1: Cell Cycle / Microtubule Poison
Class / Subclass 2: Organelle Function / Cytoskeletal Inhibitor

Compound References

PubChem Name: Docetaxel
Synonyms: RP-56976
CAS #: 114977-28-5
PubChem CID: 148124
IUPAC: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
INCHI Name: InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1
INCHI Key: ZDZOTLJHXYCWBA-VCVYQWHSSA-N
Molecular Weight: 807.9
Canonical SMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O
Isomeric SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O
Molecular Formula: C43H53NO14

Compound Supplier

Supplier Name: Abcam
Catalog #: AB141248
Lot #: N/A

Compound Characterization

HRMS (ESI-TOF) m/z: (M+Na)+ Calcd for C43H53NO14 830.33583; found 830.33216

Dose Response Curve

Platform ID: DOCETAXEL
Min: 6.3537; Max: 75.1022

IC	Concentration (µM)
IC10	N/A
IC20	N/A
IC30	0.0002
IC40	0.0006
IC50	0.0020
IC60	N/A
IC70	N/A
IC80	N/A
IC90	N/A

Screen Summary

Round: 01
Dose: 2nM
Days of incubation: 8
Doublings: 5.2
Numbers of reads: 15167862

Sensitive/Resistant hits (FDR<0.05)	CRANKS	Score Plot	Top 30 Genes	Screen Similarity	Top 30 Sensitive GO terms	Top 30 Resistant GO terms
13/3	Scores	View	View	View	View	View

Gene	CRANKS Score	FDR
KIF18B	-3.67	<0.01
GNA13	-3.66	<0.01
RHOA	-3.60	<0.01
KIF2A	-3.40	<0.01
ATP8B2	-3.31	<0.01
TRIP13	-3.24	<0.01
TMEM30A	-3.18	<0.01
KATNA1	-3.12	<0.01
KIF2C	-2.89	<0.01
LIG4	-2.84	0.17
ENPP2	-2.78	0.04
HERC1	-2.75	0.04
RIC8A	-2.73	<0.01
DLGAP5	-2.65	0.17
TACC3	-2.61	0.17
KCTD5	-2.59	0.18
KIAA0247	-2.48	0.04
BCORL1	-2.47	0.33
KLHL9	-2.45	0.33
TP53INP2	-2.41	0.28
GSG2	-2.39	0.12
CTPS1	-2.38	0.31
FRG2	-2.36	0.21
LIN9	-2.35	0.37
TRAF3	-2.33	0.33
ACACA	-2.30	0.23
GTSE1	-2.30	0.23
G3BP1	-2.29	0.33
GALNT11	-2.28	0.17
ITIH3	-2.27	0.33
METAP1	2.33	0.18
LCE2A	2.37	0.16
YTHDF1	2.39	0.15
MOB4	2.39	0.10
BICD2	2.41	0.15
PALM2-AKAP2	2.41	0.22
CLK2	2.42	0.10
FMNL1	2.43	0.10
STRIP1	2.43	0.08
AIM1	2.47	0.18
BCAP29	2.48	0.18
PHTF1	2.49	0.10
ZCCHC9	2.49	0.12
CAMSAP1	2.50	0.27
PSMD3	2.51	0.27
TMEM161B	2.53	0.09
TP53	2.53	0.10
SLC25A51	2.56	0.06
MAPKAPK5	2.57	0.10
ZNF114	2.57	0.23
SLMAP	2.58	0.10
PLK1	2.62	0.34
NOP2	2.64	0.20
MYO9A	2.64	0.20
SLTM	2.73	0.08
OTUD6B	2.78	0.05
SPIRE2	2.83	0.07
NCKAP1L	3.68	<0.01
AHCYL1	4.57	<0.01
CLASP1	4.58	<0.01

Screen	Correlation	Plot
HMS-I1 1μM R01 exp46	0.091	View
Taxol 0.002μM R01 exp54	0.089	View
Taxol 0.004μM R03 exp103	0.083	View
Epothilone-B 0.0015μM R05 exp231	0.083	View
Ixabepilone 0.004 to 0.005μM on day4 R04 exp184	0.079	View
Vinblastine 0.002μM R01 exp60	0.075	View
Vincristine 0.0005μM R04 exp190	0.073	View
UMK57 1μM R01 exp59	0.054	View
UM131593 0.1μM R01 exp58	0.052	View
Mdivi-1 15μM R05 exp217	0.051	View
Cabazitaxel 0.001μM R05 exp223	0.089	View
Docetaxel 0.001 to 0.002μM on day4 R04 exp159	0.061	View
BML-284 0.09μM R08 exp460	0.053	View

GO Term	Fold Change	Genes
mitotic sister chromatid segregation	22.07	KIF18B,RHOA,KIF2A,KIF2C,DLGAP5
sister chromatid segregation	21.43	KIF18B,RHOA,KIF2A,KIF2C,DLGAP5
mitotic nuclear division	18.37	KIF18B,RHOA,KIF2A,KIF2C,DLGAP5
nuclear chromosome segregation	16.43	KIF18B,RHOA,KIF2A,TRIP13,KIF2C,DLGAP5
microtubule binding	13.49	KIF18B,KIF2A,KATNA1,KIF2C,DLGAP5,GTSE1
chromosome organization	12.15	KIF18B,RHOA,KIF2A,TRIP13,KIF2C,LIG4,DLGAP5,HASPIN,G3BP1
nuclear division	11.83	KIF18B,RHOA,KIF2A,TRIP13,KIF2C,DLGAP5
ATP hydrolysis activity	10.64	KIF18B,KIF2A,ATP8B2,TRIP13,KATNA1,KIF2C,G3BP1
mitotic cell cycle process	10.39	KIF18B,RHOA,KIF2A,TRIP13,KIF2C,DLGAP5,TACC3,HASPIN,GTSE1
spindle	10.02	KIF18B,KIF2A,KATNA1,KIF2C,DLGAP5,TACC3,HASPIN
cell division	9.44	KIF18B,RHOA,KIF2A,KATNA1,KIF2C,LIG4,TACC3,KLHL9
mitotic cell cycle	8.93	KIF18B,RHOA,KIF2A,TRIP13,KIF2C,DLGAP5,TACC3,HASPIN,GTSE1
ATP-dependent activity	8.66	KIF18B,KIF2A,ATP8B2,TRIP13,TMEM30A,KATNA1,KIF2C,G3BP1
ribonucleoside triphosphate phosphatase activity	7.56	KIF18B,GNA13,RHOA,KIF2A,ATP8B2,TRIP13,KATNA1,KIF2C,G3BP1
pyrophosphatase activity	6.94	KIF18B,GNA13,RHOA,KIF2A,ATP8B2,TRIP13,KATNA1,KIF2C,G3BP1
hydrolase activity, acting on acid anhydrides	6.93	KIF18B,GNA13,RHOA,KIF2A,ATP8B2,TRIP13,KATNA1,KIF2C,G3BP1
hydrolase activity, acting on acid anhydrides, in phosphorus-containing anhydrides	6.93	KIF18B,GNA13,RHOA,KIF2A,ATP8B2,TRIP13,KATNA1,KIF2C,G3BP1
regulation of cell cycle process	6.89	RHOA,TRIP13,KIF2C,DLGAP5,TACC3,KLHL9,HASPIN,GTSE1
cell cycle process	6.14	KIF18B,RHOA,KIF2A,TRIP13,KIF2C,DLGAP5,TACC3,HASPIN,GTSE1

Docetaxel 0.002μM R01 exp45

Mechanism of Action

Technical Notes

Compound References

Compound Supplier

Compound Characterization

Dose Response Curve

Screen Summary

Screen Results