RO-3307 4.7μM R02 exp80

Inhibits CDK1, ATP-competitive, causes G2/M arrest

Class / Subclass 1: Cell Cycle / Kinase Inhibitor

Compound References

PubChem Name: (5Z)-5-(Quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one
Synonyms: N/A
CAS #: 872573-93-8
PubChem CID: 135400873
IUPAC: (5Z)-5-(quinolin-6-ylmethylidene)-2-(thiophen-2-ylmethylimino)-1,3-thiazolidin-4-one
INCHI Name: InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)/b16-10-
INCHI Key: XOLMRFUGOINFDQ-YBEGLDIGSA-N
Molecular Weight: 351.4
Canonical SMILES: C1=CC2=C(C=CC(=C2)C=C3C(=O)NC(=NCC4=CC=CS4)S3)N=C1
Isomeric SMILES: C1=CC2=C(C=CC(=C2)/C=C\\3/C(=O)NC(=NCC4=CC=CS4)S3)N=C1
Molecular Formula: C18H13N3OS2

Compound Supplier

Supplier Name: Tocris Bioscience
Catalog #: 4181
Lot #: N/A

Compound Characterization

HRMS (ESI-TOF) m/z: (M+H)+ Calcd for C18H13N3OS2 352.05728; found 352.05802

Dose Response Curve

Platform ID: RO-3306
Min: -12.5148; Max: 79.2860

IC	Concentration (µM)
IC10	N/A
IC20	4.5355
IC30	4.7770
IC40	4.9845
IC50	5.1828
IC60	N/A
IC70	N/A
IC80	N/A
IC90	N/A

Screen Summary

Round: 02
Dose: 4.7µM
Days of incubation: 8
Doublings: 0.7
Numbers of reads: 11335426

Sensitive/Resistant hits (FDR<0.05)	CRANKS	Score Plot	Top 30 Genes	Screen Similarity	Top 30 Sensitive GO terms	Top 30 Resistant GO terms
1/73	Scores	View	View	View	View	View

Gene	CRANKS Score	FDR
FAM122A	-2.87	0.04
CDK1	-2.86	0.42
IVL	-2.80	0.16
TSC1	-2.57	0.14
COPZ1	-2.38	0.35
CDC73	-2.33	0.42
TCF4	-2.21	0.35
ZFAND5	-2.19	0.37
ERICH2	-2.19	0.35
DDX3X	-2.17	0.35
PRMT7	-2.14	0.35
SRRM3	-2.14	0.35
NCAPG2	-2.12	0.42
TSC2	-2.11	0.35
PLS3	-2.11	0.35
VPS25	-2.11	0.73
MME	-2.08	0.42
LAS1L	-2.07	0.73
UBE4A	-2.07	0.37
NAA50	-2.06	0.37
TAF1	-2.05	0.42
CCDC172	-2.04	0.42
ZNF486	-2.03	0.42
ZC3H14	-2.03	0.42
RIPPLY1	-2.02	0.42
INTS9	-2.01	0.42
POLD1	-2.00	0.42
AZI2	-1.99	0.42
DUSP16	-1.97	0.42
RPS13	-1.95	0.53
GMPPB	2.86	0.04
PPP1CA	2.88	<0.01
PPP6C	2.92	<0.01
DDX42	2.98	0.00
ENY2	2.99	<0.01
LCMT1	3.00	0.00
KCTD5	3.03	<0.01
PLAA	3.04	0.00
FOPNL	3.12	0.00
DIABLO	3.20	0.00
CEP128	3.20	0.00
TFAP4	3.29	0.00
VDAC2	3.32	0.00
HCCS	3.32	<0.01
CASP2	3.33	0.00
CASP9	3.43	0.00
MTOR	3.46	0.00
UBP1	3.58	0.00
PPP6R3	3.65	0.00
APAF1	3.70	0.00
CYB5R4	3.82	0.00
MLST8	3.86	0.00
KIAA0753	3.92	0.00
C2CD3	4.06	0.00
PPP2R4	4.07	0.00
MARCH5	4.34	0.00
PPME1	4.99	0.00
TIPRL	5.04	0.00
BAK1	5.94	0.00
CCNF	6.32	0.00

Screen	Correlation	Plot
Tozasertib 0.1μM R07 exp414	0.132	View
Rotenone 20μM R00 exp34	0.099	View
THZ1 0.06μM R08 exp531	0.093	View
Staurosporine 0.02μM R08 exp524	0.09	View
SNS-032 15μM R08 exp443	0.076	View
UM131593 0.2μM R03 exp106	0.074	View
Tanespimycin 14μM R08 exp527	0.073	View
UM0129480 7μM R02 exp85	0.071	View
UMK57 1μM R01 exp59	0.069	View
Benzoate 20000μM R08 exp456	0.137	View
Latrunculin-B 10μM R07 exp374	0.129	View
Cytochalasin-B 5μM R07 exp349	0.118	View
Actinomycin-D 0.001μM R00 exp3	0.111	View
5-Fluorouracil 20μM R00 exp2	0.11	View
Doxorubicin 0.02μM R08 exp478	0.107	View
Pimelic-diphenylamide-106 5μM R00 exp28	0.107	View
Bleomycin 5μM R08 exp459	0.105	View
Mitomycin-C 0.06μM R08 exp503	0.105	View
Etoposide 0.3μM R05 exp199	0.099	View
BVD-523 15μM R02 exp67	0.099	View
6-Thio-2-deoxyguanosine 2μM R06 exp259	0.099	View
MS023 7μM R03 exp135	0.091	View
AICAR 240μM R05 exp211	0.091	View
Dorsomorphin 5μM R07 exp357	0.09	View
GSK626616 14μM R08 exp485	0.089	View
Dinaciclib 0.007μM R07 exp355	0.085	View
Etoposide 1μM R00 exp19	0.083	View
Olaparib 4μM R08 exp512	0.077	View
CI-1040 9.5μM R08 exp472	0.073	View
AICAR 240μM R03 exp116	0.072	View
Aphidicolin 0.4μM R08 exp440	0.072	View
Milciclib 2μM R08 exp502	0.071	View
Hippuristanol 0.12μM R08 exp489 no dilution day6	0.067	View
Hippuristanol 0.12μM R08 exp488	0.066	View
Mdivi-1 15μM R05 exp217	0.066	View
Centrinone 0.5μM R07 exp343	0.062	View
Quercetin 20μM R08 exp517	0.06	View
MS023 2μM R03 exp134	0.059	View
Atovaquone 15μM R08 exp451	0.058	View
PU-H71 1μM R08 exp515	0.058	View
CR131-b 0.005μM R08 exp474	0.057	View
Ethanol 0.01 R05 exp234	0.055	View
CB-5083 0.4μM R08 exp468	0.055	View
LY2090314 0.003μM R08 exp500 no dilution day6	0.054	View
Artemisinin 50μM R08 exp450	0.053	View
JQ1 0.8μM R08 exp435	0.052	View
LY2090314 0.003μM R08 exp499	0.051	View
BI-D1870 3.15μM R02 exp66	0.051	View
MLN-4924 2μM R00 exp22	0.051	View

GO Term	Fold Change	Genes
apoptosome	552.80	APAF1,CASP9
activation of cysteine-type endopeptidase activity involved in apoptotic process by cytochrome c	331.68	APAF1,CASP9,DIABLO
TORC1 complex	221.12	MLST8,MTOR
porin activity	221.12	BAK1,VDAC2
regulation of phosphoprotein phosphatase activity	51.42	TIPRL,PTPA,PPP6R3,MTOR
regulation of phosphatase activity	38.79	TIPRL,PTPA,PPP6R3,MTOR
regulation of protein dephosphorylation	30.71	TIPRL,PTPA,PPP6R3,MTOR
positive regulation of cysteine-type endopeptidase activity	22.47	BAK1,APAF1,CASP9,CASP2,DIABLO
regulation of dephosphorylation	22.34	TIPRL,PTPA,PPP6R3,MTOR
positive regulation of endopeptidase activity	19.19	BAK1,APAF1,CASP9,CASP2,DIABLO
centriole	18.68	CCNF,C2CD3,KIAA0753,CEP128,CEP20
positive regulation of peptidase activity	17.49	BAK1,APAF1,CASP9,CASP2,DIABLO
intrinsic apoptotic signaling pathway	17.27	BAK1,APAF1,CASP9,CASP2,DIABLO
regulation of cysteine-type endopeptidase activity	14.78	BAK1,APAF1,CASP9,CASP2,DIABLO
apoptotic signaling pathway	10.77	BAK1,APAF1,CASP9,CASP2,VDAC2,DIABLO
positive regulation of hydrolase activity	9.23	BAK1,PTPA,APAF1,MTOR,CASP9,CASP2,DIABLO,PLAA
positive regulation of apoptotic process	9.10	BAK1,PTPA,APAF1,CASP9,CASP2,TFAP4,DIABLO,PPP1CA
positive regulation of programmed cell death	8.72	BAK1,PTPA,APAF1,CASP9,CASP2,TFAP4,DIABLO,PPP1CA
regulation of hydrolase activity	7.52	BAK1,TIPRL,PTPA,APAF1,PPP6R3,MTOR,CASP9,CASP2,DIABLO,PLAA

RO-3307 4.7μM R02 exp80

Mechanism of Action

Technical Notes

Compound References

Compound Supplier

Compound Characterization

Dose Response Curve

Screen Summary

Screen Results