Details of the Drug

General Information of Drug (ID: DMYPEX3)

Drug Name

N-Methyl-N-(Methylbenzyl)Formamide

Synonyms

N-Methyl-N-(Methylbenzyl)formamide; N-methyl-N-[(1S)-1-phenylethyl]formamide; AC1L9GJA

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): 0

Molecular Weight (mw)

163.22

Logarithm of the Partition Coefficient (xlogp)

1.6

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C10H13NO
IUPAC Name: N-methyl-N-[(1S)-1-phenylethyl]formamide
Canonical SMILES: C[C@@H](C1=CC=CC=C1)N(C)C=O
InChI: InChI=1S/C10H13NO/c1-9(11(2)8-12)10-6-4-3-5-7-10/h3-9H,1-2H3/t9-/m0/s1
InChIKey: YYPINKULTUCCJA-VIFPVBQESA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Angiotensinogenase renin (REN)	TTB2MXP	RENI_HUMAN	Inhibitor	[1]

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Drug-Metabolizing Enzyme (DME)

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
2	Drug Interactions Flockhart Table