Details of the Drug

General Information of Drug (ID: DMEBHML)

Drug Name

10-Formyl-5,8,10-Trideazafolic Acid

Synonyms

10-formyl-5,8,10-trideazafolic

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

482.4

Logarithm of the Partition Coefficient (xlogp)

0.3

Rotatable Bond Count (rotbonds)

10

Hydrogen Bond Donor Count (hbonddonor)

6

Hydrogen Bond Acceptor Count (hbondacc)

9

Chemical Identifiers

Formula: C23H22N4O8
IUPAC Name: (2S)-2-[[4-[(1S)-2-(2-amino-4-oxo-3H-quinazolin-6-yl)-1-carboxyethyl]benzoyl]amino]pentanedioic acid
Canonical SMILES: C1=CC(=CC=C1[C@H](CC2=CC3=C(C=C2)N=C(NC3=O)N)C(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI: InChI=1S/C23H22N4O8/c24-23-26-16-6-1-11(10-15(16)20(31)27-23)9-14(21(32)33)12-2-4-13(5-3-12)19(30)25-17(22(34)35)7-8-18(28)29/h1-6,10,14,17H,7-9H2,(H,25,30)(H,28,29)(H,32,33)(H,34,35)(H3,24,26,27,31)/t14-,17-/m0/s1
InChIKey: DAOQLLQRJAXMGY-YOEHRIQHSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glycinamide ribonucleotide formyltransferase (GART)	TTEXB9Z	PUR2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.