MLN-4924 2μM R00 exp22

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
1/34	Scores	View	View	View	View	View

Screen	Correlation	Plot
Pimelic-diphenylamide-106 5μM R00 exp28	0.126	View
THZ1 0.06μM R08 exp531	0.096	View
Rotenone 20μM R00 exp34	0.087	View
SNS-032 15μM R08 exp443	0.065	View
PU-H71 1μM R08 exp515	0.063	View
Mitomycin-C 0.06μM R08 exp503	0.061	View
Vinblastine 0.2μM R03 exp108	0.054	View
UM131593 0.2μM R03 exp106	0.051	View
RO-3307 4.7μM R02 exp80	0.051	View
Actinomycin-D 0.001μM R00 exp3	0.119	View
5-Fluorouracil 20μM R00 exp2	0.111	View
Etoposide 1μM R00 exp19	0.109	View
GSK461364A 0.1μM R03 exp126	0.096	View
Bortezomib 0.05μM R00 exp7	0.092	View
DABN 20μM R00 exp17	0.083	View
Benzoate 20000μM R08 exp456	0.083	View
CI-1040 9.5μM R08 exp472	0.08	View
Actinomycin-D 0.01μM R00 exp4	0.074	View
Doxorubicin 0.02μM R08 exp478	0.074	View
Etoposide 0.3μM R05 exp199	0.07	View
Bleomycin 5μM R08 exp459	0.068	View
BI-6727 0.04μM R03 exp98	0.068	View
BI-2536 0.02μM R03 exp96	0.066	View
42°C R08 exp539	0.062	View
Atovaquone 15μM R08 exp451	0.056	View
Ammonium tetrathiomolybdate 10μM R08 exp448	0.054	View

GO Term	Fold Change	Genes
RNA polymerase III type 2 promoter sequence-specific DNA binding	368.47	RPTOR,MTOR
RNA polymerase III general transcription initiation factor binding	368.47	RPTOR,MTOR
5S rDNA binding	368.47	RPTOR,MTOR
regulation of pentose-phosphate shunt	276.35	TP53,RPTOR,MTOR
positive regulation of DNA damage checkpoint	276.35	TTI1,TTI2
regulation of NADP metabolic process	236.87	TP53,RPTOR,MTOR
TOR complex	165.81	RPTOR,TTI1,MTOR
rRNA transcription	75.37	TP53,GTF3A,GTF3C3
transcription by RNA polymerase III	72.72	GTF3A,GTF3C3,POLR3B,POLR3H,TBP
general transcription initiation factor binding	41.71	TP53,RPTOR,TBP,MTOR
cellular response to starvation	16.26	TP53,CDKN1A,RPTOR,MTOR,PIK3R4
transferase complex, transferring phosphorus-containing groups	11.72	CDKN1A,ENY2,POLR3B,POLR3H,TBP,PIK3R4
cellular response to external stimulus	10.17	TP53,BAK1,CDKN1A,RPTOR,MTOR,PIK3R4
DNA-templated transcription	9.29	TP53,PAX5,ENY2,GTF3A,GTF3C3,POLR3B,POLR3H,TBP
RNA biosynthetic process	9.06	TP53,PAX5,ENY2,GTF3A,GTF3C3,POLR3B,POLR3H,TBP
heterocycle biosynthetic process	6.09	TP53,GMPPB,PAX5,ENY2,GTF3A,GTF3C3,POLR3B,POLR3H,TBP,MTOR
nucleobase-containing compound biosynthetic process	5.98	TP53,GMPPB,PAX5,ENY2,GTF3A,GTF3C3,POLR3B,POLR3H,TBP
intracellular protein-containing complex	5.68	RTCB,ENY2,RPTOR,TTI1,MEAF6,POLR3B,POLR3H,TBP,MTOR
aromatic compound biosynthetic process	5.44	TP53,GMPPB,PAX5,ENY2,GTF3A,GTF3C3,POLR3B,POLR3H,TBP