TRIMETREXATE GLUCURONATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1993)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: L137U4A79K

Structure
InChI Key DQOGWKZQQBYYMW-LQGIGNHCSA-N
Smile COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC.O=C(O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
InChI
InChI=1S/C19H23N5O3.C6H10O7/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;7-1-2(8)4(5(10)11)13-6(12)3(1)9/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24);1-4,6-9,12H,(H,10,11)/t;1-,2-,3+,4-,6-/m.0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H33N5O10
Molecular Weight 563.56
AlogP 2.74
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 117.54
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Dihydrofolate reductase inhibitor DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pneumonia, Pneumocystis 3 D011020 ClinicalTrials
Sarcoma 2 D012509 ClinicalTrials
Pancreatic Neoplasms 2 D010190 ClinicalTrials
Colorectal Neoplasms 2 D015179 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2218878
FDA SRS L137U4A79K
KEGG C11154
PDB TMQ
PubChem 54949
ZINC ZINC00598852
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