Trimetrexate 0.03μM R08 exp535

Inhibits bacterial, protozoan, and mammalian dihydrofolate reductase (DHFR), methotrexate analog

Class / Subclass 1: Metabolism / Antimetabolite
Class / Subclass 2: DNA Damage, Repair and Replication / Replication Inhibitor
Class / Subclass 3: Infectious Disease / Antibiotic

PubChem Name: Trimetrexate
Synonyms: CI-898
CAS #: 52128-35-5
PubChem CID: 5583
IUPAC: 5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine
INCHI Name: InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)
INCHI Key: NOYPYLRCIDNJJB-UHFFFAOYSA-N
Molecular Weight: 369.4
Canonical SMILES: CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC
Isomeric SMILES: N/A
Molecular Formula: IKSPCQRETP EGAEAKPWYE PIYLGGVFQL EKGDRLSAEI NRPDYLDFAE

Sensitive/Resistant hits (FDR<0.05)	CRANKS	Score Plot	Top 30 Genes	Screen Similarity	Top 30 Sensitive GO terms	Top 30 Resistant GO terms
36/71	Scores	View	View	View	View	View

Screen	Correlation	Plot
iCRT14 30μM R08 exp492	0.073	View
Aphidicolin 0.4μM R08 exp440	0.103	View
AICAR 240μM R03 exp116	0.099	View
Hippuristanol 0.12μM R08 exp488	0.099	View
MLN-4924 0.2μM R00 exp21	0.085	View
Nifuroxazide 5μM R03 exp102	0.084	View
Olaparib 4μM R08 exp512	0.082	View
MS023 2μM R03 exp134	0.079	View
Sulforaphane 9μM R08 exp526 no dilution day6	0.079	View
Citral 50μM R06 exp274	0.077	View
Hippuristanol 0.12μM R08 exp489 no dilution day6	0.074	View
Ethanol 0.01 R05 exp234	0.074	View
Sulforaphane 9μM R08 exp525	0.074	View
Diepoxybutane 3μM R07 exp354	0.071	View
Pterostilbene 16μM R02 exp78	0.07	View
JQ1 0.8μM R08 exp435	0.062	View
Citral 75μM R06 exp275	0.061	View
Lead acetate 2000μM R08 exp498 no dilution day6	0.058	View
Thimerosal 0.85μM R08 exp529	0.058	View
Quercetin 20μM R08 exp517	0.058	View
Amiloride 100μM R08 exp447	0.057	View
Talazoparib 0.006μM R06 exp299	0.057	View
Rucaparib 6.5μM R08 exp520	0.057	View
Rapamycin 10μM R00 exp30	0.054	View
Arsenate 40μM R06 exp264	0.053	View
Latrunculin-B 10μM R07 exp374	0.053	View
MS023 7μM R03 exp135	0.053	View
Nutlin-3A 1.6μM R06 exp294	0.053	View
Erlotinib 10μM R05 exp216	0.053	View
MK-1775 0.32μM R02 exp75	0.052	View
Resveratrol 16μM R03 exp147	0.051	View
Benzoate 20000μM R08 exp456	0.051	View
B02 10μM R08 exp453	0.051	View

GO Term	Fold Change	Genes
deaminated base DNA N-glycosylase activity	409.11	UNG,APEX1
3-5 exonuclease activity	45.46	CNOT2,APEX2,APEX1,CNOT8
exonuclease activity, active with either ribo- or deoxyribonucleic acids and producing 5-phosphomonoesters	41.60	CNOT2,APEX2,APEX1,CNOT8
exonuclease activity	30.30	CNOT2,APEX2,APEX1,CNOT8