EcoDrugPlus


Trade Names	FOLOTYN PRALATREXATE
Synonyms	Folotyn NSC-754230 PDX Pralatrexate
Status
Molecule Category	Free-form
ATC	L01BA05
UNII	A8Q8I19Q20
EPA CompTox	DTXSID3048578

Datasets:

Active Pharmaceutical Ingredients

Bioactive chemicals

Agrochemicals

Human Metabolites

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SubStructure

Threshold (%) >= 70


InChI Key	OGSBUKJUDHAQEA-WMCAAGNKSA-N
Smiles	C#CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
InChI	InChI=1S/C23H23N7O5/c1-2-3-14(10-15-11-26-20-18(27-15)19(24)29-23(25)30-20)12-4-6-13(7-5-12)21(33)28-16(22(34)35)8-9-17(31)32/h1,4-7,11,14,16H,3,8-10H2,(H,28,33)(H,31,32)(H,34,35)(H4,24,25,26,29,30)/t14?,16-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C23H23N7O5
Molecular Weight	477.48
AlogP	0.98
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	5.0
Number of Rotational Bond	10.0
Polar Surface Area	207.3
Molecular species	ACID
Aromatic Rings	3.0
Heavy Atoms	35.0

Mechanism of Action	Action	Reference
Dihydrofolate reductase inhibitor	INHIBITOR	DailyMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Membrane receptor	-	168	-	-	-
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC19 family of vitamin transporters	-	0.69	-	-	-
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC46 family of folate transporters	-	57	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cricetulus griseus	-	0.69-819	-	-	-
Homo sapiens	-	0.47-168	-	-	-

Target Conservation


Protein: Dihydrofolate reductase Description: Dihydrofolate reductase Organism : Homo sapiens P00374 ENSG00000228716

Cross References

Resources	Reference
ChEBI	71223
ChEMBL	CHEMBL1201746
DrugBank	DB06813
DrugCentral	4117
FDA SRS	A8Q8I19Q20
Guide to Pharmacology	6840
PubChem	148121
SureChEMBL	SCHEMBL21633

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

PRALATREXATE

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References