BAY-598 4μM R05 exp220 [The Human Chemical-Genetic Interaction Map Project]

Inhibits SMYD2 lysine methyltransferase that acts on H3K4me, H3K36me, p53 and other substrates

Class / Subclass 1: Gene Regulation / Epigenetic Inhibitor

Compound References

PubChem Name: N-[(4S)-2-[N-Cyano-N'-[3-(difluoromethoxy)phenyl]carbamimidoyl]-5-(3,4-dichlorophenyl)-3,4-dihydropyrazol-4-yl]-N-ethyl-2-hydroxyacetamide
Synonyms: N/A
CAS #: 1906919-67-2
PubChem CID: 117072551
IUPAC: N-[(4S)-2-[N-cyano-N'-[3-(difluoromethoxy)phenyl]carbamimidoyl]-5-(3,4-dichlorophenyl)-3,4-dihydropyrazol-4-yl]-N-ethyl-2-hydroxyacetamide
INCHI Name: InChI=1S/C22H20Cl2F2N6O3/c1-2-31(19(34)11-33)18-10-32(30-20(18)13-6-7-16(23)17(24)8-13)22(28-12-27)29-14-4-3-5-15(9-14)35-21(25)26/h3-9,18,21,33H,2,10-11H2,1H3,(H,28,29)/t18-/m0/s1
INCHI Key: OTTJIRVZJJGFTK-SFHVURJKSA-N
Molecular Weight: 525.3
Canonical SMILES: CCN(C1CN(N=C1C2=CC(=C(C=C2)Cl)Cl)C(=NC3=CC(=CC=C3)OC(F)F)NC#N)C(=O)CO
Isomeric SMILES: CCN([C@H]1CN(N=C1C2=CC(=C(C=C2)Cl)Cl)C(=NC3=CC(=CC=C3)OC(F)F)NC#N)C(=O)CO
Molecular Formula: C22H20Cl2F2N6O3

Compound Supplier

Supplier Name: Structural Genomics Consortium
Catalog #: N/A
Lot #: N/A

Compound Characterization

HRMS (ESI-TOF) m/z: (M+H)+ Calcd for C22H20Cl2F2N6O3 525.10148; found 525.10136

Dose Response Curve

Platform ID: Bay598
Min: -10.2518; Max: 7.1534

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

Screen Summary

Round: 05
Dose: 4µM
Days of incubation: 8
Doublings: 7.5
Numbers of reads: 14873510

Sensitive/Resistant hits (FDR<0.05)	CRANKS	Score Plot	Top 30 Genes	Screen Similarity	Top 30 Sensitive GO terms	Top 30 Resistant GO terms
0/0	Scores	View	View	View	View	View

Gene	CRANKS Score	FDR
CDIPT	-2.74	0.30
CTRB2	-2.36	0.30
OR2M4	-2.35	0.30
DEXI	-2.22	0.45
ENO1	-2.18	0.45
QRICH1	-2.17	0.78
SERPINA10	-2.16	0.45
PSG9	-2.14	0.68
FASTKD1	-2.10	0.55
ERCC2	-2.07	0.81
ROCK2	-2.07	0.75
VPS25	-2.05	0.85
NHLRC2	-2.05	0.78
SRP14	-2.02	0.68
SMO	-1.98	0.75
EGLN1	-1.95	0.75
NUDT5	-1.94	0.78
TIGD1	-1.93	0.78
ALDH18A1	-1.93	0.78
FRK	-1.91	0.78
EEF2	-1.90	0.88
H3F3B	-1.90	0.79
ZRSR2	-1.89	0.78
CCDC146	-1.88	0.78
GIGYF2	-1.86	0.81
NAE1	-1.86	0.79
STAG2	-1.86	0.78
OR4P4	-1.86	0.78
TBCD	-1.85	0.79
SHMT1	-1.82	0.78
NUP153	1.98	0.62
ANKMY1	1.98	0.55
RFC1	2.00	0.72
RPL10	2.00	0.72
PTCH1	2.02	0.57
NEFM	2.03	0.65
CEP192	2.04	0.70
DPYD	2.04	0.50
NAA40	2.06	0.65
PMM1	2.07	0.49
SCYL3	2.08	0.49
KCNT1	2.10	0.49
NUP160	2.11	0.72
XPNPEP2	2.11	0.49
SUPT6H	2.12	0.68
NDC1	2.12	0.49
LY6G5B	2.14	0.49
GLIS1	2.15	0.50
DHX38	2.16	0.65
KRTAP4-8	2.17	0.65
LCA5	2.17	0.49
PSMA7	2.34	0.65
NGDN	2.35	0.57
SF3B3	2.37	0.65
FNBP1L	2.37	0.49
KIFC1	2.42	0.49
ADSS	2.42	0.55
ARHGEF35	2.44	0.49
RPSA	2.62	0.65
PSMC3	2.96	0.50

Last modified: 2026/01/15 21:36
by 127.0.0.1