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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL46294
CHEMBL46294
Compound Name DIHYDROFOLIC ACID
ChEMBL Synonyms Dihydrofolic acid
Max Phase 0
Trade Names
Molecular Formula C19H21N7O6

Additional synonyms for CHEMBL46294 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC1=NC(=O)C2=C(NCC(=N2)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(= ...
Download SMILES
Standard InChI InChI=1S/C19H21N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-1 ...
Download InChI
Standard InChI Key OZRNSSUDZOLUSN-LBPRGKRZSA-N

Structural Alerts

There are 2 structural alerts for CHEMBL46294. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL46294

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
443.4 443.1553 -1.25 9 207.59 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 7 2 13 8 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.46 12.68 -1.11 -4.59 1 32 0.24

Compound Cross References

ChemSpider ChemSpider:OZRNSSUDZOLUSN-LBPRGKRZSA-N
Wikipedia Dihydrofolic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL46294



ACToR 4033-27-6
BindinDB 18044
ChEBI 15633
eMolecules 36095292
Human Metabolome Database HMDB01056
IBM Patent System 9E23783819728DC4DF4D06BC7748C14D
IBM Patents US6750038 US20050216958 EP1132397A1 US20050119470 WO2005018330A1 EP0616032A3 EP2139485A2 US20050175608 US20050019811 EP1578698B1 EP0096214A1 US7091316 EP0402903A1 WO2006063215A2 WO1998057667A1 WO2008101692A2 US20060286571 EP0896002A1 US6248559 US5084449 WO2009059233A2 US20060078992 WO2001090334A2 US6489122 EP1286667B1 US7566462 US5877176 US20060154943 EP1411949A2 US20100028947 EP2077328A1 US6214973 US6844328 EP1781783A2 US6337337 US20020168686 US20070117838 EP0996469A1 EP1803812A1 US6291488 US7419954 US6544504 US20080214585 US6159506 US4587341 US6068990 US20020183287 US20040034047 US7604797 EP1123928A1 EP1111048B1 WO2002055015A2 WO2006116684A2 US6274581 US20050053601 US7307064 US6808882 EP0647133A1 WO2009052186A1 WO2007117704A2 WO1996020010A1 US4237289 WO1999002671A1 US20060078888 US20080199960 US20080160004 US20040242512 US20100281550 EP1578698A1 WO2009140418A2 US6890735 EP1805324A2 EP0897426A1 US20100143373 US6308145 WO2000023089A1 EP1019496B1 EP0240250A1 US5876713 EP2019842A2 EP1199355B1 EP2164877A1 EP1299545A2 EP1879583A2 EP1275659A1 US5223500 EP2150559A2 EP0947198A1 EP1496931A1 EP0646322B1 WO2008128049A2 US5084458 US5641753 WO2008078911A1 US20030143304 WO2002026988A2 WO2007059041A3 WO1995033749A1 US20030176436 US20080176756
KEGG Ligand C00415
Nikkaji J647.851D
PDBe DHF
PubChem 98792
PubChem: Thomson Pharma 15201936 15007999
SureChEMBL SCHEMBL8282

UniChem REST Service Call: https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/OZRNSSUDZOLUSN-LBPRGKRZSA-N spacer
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