Details of the Drug | DrugMAP

General Information of Drug (ID: DMJRK9D)

Drug Name	1313212-89-3
Synonyms	Ethyl N-[(4-Aminobenzyl)carbamoyl]glycinate; ethyl 2-(3-(4-aminobenzyl)ureido)acetate; SCHEMBL2044119; CHEMBL3647424; BDBM139995; 1313212-89-3; US8901295, F428
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			251.28
	Logarithm of the Partition Coefficient (xlogp)			0.5
	Rotatable Bond Count (rotbonds)			6
	Hydrogen Bond Donor Count (hbonddonor)			3
	Hydrogen Bond Acceptor Count (hbondacc)			4
Chemical Identifiers	Formula C12H17N3O3 IUPAC Name ethyl 2-[(4-aminophenyl)methylcarbamoylamino]acetate Canonical SMILES CCOC(=O)CNC(=O)NCC1=CC=C(C=C1)N InChI InChI=1S/C12H17N3O3/c1-2-18-11(16)8-15-12(17)14-7-9-3-5-10(13)6-4-9/h3-6H,2,7-8,13H2,1H3,(H2,14,15,17) InChIKey UCMPTJMHPJQEED-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 53259809 TTD ID D0M2OY

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Rotamase D (PPID)	TTNAFOU	PPID_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Inhibitors of cyclophilins and uses thereof. US8901295.