MLN-4924 0.2μM R00 exp21

Inhibits NEDD8-activating enzyme (NAE), prevents activity of cullin-RING ligase (CRL) E3 enzymes

PubChem Name: Pevonedistat
Synonyms: MLN4924
CAS #: 905579-51-3
PubChem CID: 16720766
IUPAC: [(1S,2S,4R)-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-2-hydroxycyclopentyl]methyl sulfamate
INCHI Name: InChI=1S/C21H25N5O4S/c22-31(28,29)30-11-14-9-15(10-19(14)27)26-8-7-17-20(23-12-24-21(17)26)25-18-6-5-13-3-1-2-4-16(13)18/h1-4,7-8,12,14-15,18-19,27H,5-6,9-11H2,(H2,22,28,29)(H,23,24,25)/t14-,15+,18-,19-/m0/s1
INCHI Key: MPUQHZXIXSTTDU-QXGSTGNESA-N
Molecular Weight: 443.5
Canonical SMILES: C1CC2=CC=CC=C2C1NC3=C4C=CN(C4=NC=N3)C5CC(C(C5)O)COS(=O)(=O)N
Isomeric SMILES: C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N
Molecular Formula: C21H25N5O4S

Characterization data not available.

Sensitive/Resistant hits (FDR<0.05)	CRANKS	Score Plot	Top 30 Genes	Screen Similarity	Top 30 Sensitive GO terms	Top 30 Resistant GO terms
21/115	Scores	View	View	View	View	View

Screen	Correlation	Plot
Nifuroxazide 5μM R03 exp102	0.105	View
THZ531 0.225μM R08 exp444	0.099	View
TRAIL 5ng/ml R00 exp35	0.087	View
Trimetrexate 0.03μM R08 exp535	0.085	View
Sulforaphane 9μM R08 exp526 no dilution day6	0.083	View
MS023 2μM R03 exp134	0.079	View
MS023 7μM R03 exp135	0.077	View
TRAIL 50ng/ml R00 exp36	0.073	View
THZ531 0.11 to 0.125 to 0.35μM on day4 then day6 R07 exp412	0.071	View
THZ531 0.11 to 0.175μM on day4 R07 exp413	0.068	View
Sulforaphane 9μM R08 exp525	0.066	View
Olaparib 4μM R08 exp512	0.062	View
Quercetin 20μM R08 exp517	0.053	View
PU-H71 1μM R08 exp515	0.052	View
LY2090314 0.003μM R08 exp499	0.102	View
ML-792 0.2μM R08 exp505	0.096	View
LY2090314 0.003μM R08 exp500 no dilution day6	0.09	View
Benzoate 20000μM R08 exp456	0.082	View
CB-5083 0.4μM R08 exp468	0.075	View
Hippuristanol 0.12μM R08 exp489 no dilution day6	0.074	View
Hippuristanol 0.12μM R08 exp488	0.074	View
Amiloride 100μM R08 exp447	0.07	View
6-Thio-2-deoxyguanosine 2μM R06 exp259	0.069	View
AICAR 240μM R05 exp211	0.066	View
Arsenate 40μM R06 exp264	0.066	View
Ethanol 0.01 R05 exp234	0.065	View
Actinomycin-D 0.001μM R00 exp3	0.06	View
Etoposide 0.3μM R05 exp199	0.055	View
GSK626616 14μM R08 exp485	0.055	View
Artemisinin 50μM R08 exp450	0.054	View
AICAR 240μM R03 exp116	0.054	View
5-Fluorouracil 20μM R00 exp2	0.053	View
2-Deoxy-D-glucose 800μM R05 exp214	0.053	View
Aphidicolin 0.4μM R08 exp440	0.052	View

GO Term	Fold Change	Genes
ubiquitin-protein transferase regulator activity	74.02	FZR1,GLMN,OTUB1
negative regulation of TOR signaling	35.89	SZT2,DEPDC5,TMEM127,KPTN
regulation of TORC1 signaling	27.54	SZT2,DEPDC5,KPTN,OTUB1
regulation of TOR signaling	21.93	SZT2,DEPDC5,HDAC3,TMEM127,KPTN
ubiquitin-like protein ligase binding	11.21	CUL4A,UBE2G1,UBE2C,TUBB,GLMN,OTUB1
negative regulation of intracellular signal transduction	8.08	SZT2,NONO,DEPDC5,HDAC3,TMEM127,CSK,KPTN

GO Term	Fold Change	Genes
positive regulation of pentose-phosphate shunt	552.70	MLST8,RPTOR
tRNA wobble position uridine thiolation	368.47	MOCS3,CTU2
tRNA thio-modification	276.35	MOCS3,CTU2
COP9 signalosome assembly	276.35	COPS7B,COPS8
protein deneddylation	165.81	COPS7B,COPS4,COPS8
COP9 signalosome	138.18	COPS7B,COPS2,COPS4,COPS8
protein neddylation	100.49	COPS7B,COPS2,COPS4,COPS8
positive regulation of purine nucleotide metabolic process	97.54	BEND3,MLST8,RPTOR
positive regulation of nucleotide metabolic process	97.54	BEND3,MLST8,RPTOR
regulation of protein neddylation	92.12	COPS2,COPS4,COPS8
facultative heterochromatin formation	69.09	BEND3,EZH2,SUZ12
TOR signaling	47.37	MLST8,RPTOR,MAPKAP1
PcG protein complex	46.06	EZH2,SUZ12,EED
histone methyltransferase activity	33.50	EZH2,SUZ12,EED,KMT5B
protein methyltransferase activity	24.84	EZH2,SUZ12,EED,KMT5B
protein modification by small protein removal	19.92	COPS7B,COPS2,COPS4,COPS8
protein modification by small protein conjugation	7.40	COPS7B,COPS2,COPS4,UBE2G2,COPS8,WDR24,MOCS3,CTU2,ZNF598
protein modification by small protein conjugation or removal	6.51	COPS7B,COPS2,COPS4,UBE2G2,COPS8,WDR24,MOCS3,CTU2,ZNF598
post-translational protein modification	5.61	COPS7B,COPS2,COPS4,UBE2G2,COPS8,WDR24,MOCS3,CTU2,ZNF598