Details of the Drug

General Information of Drug (ID: DMIPKNQ)

Drug Name

N-(4-(benzyloxy)phenethyl)pyridin-4-amine

Synonyms

CHEMBL48029; N-(4-(benzyloxy)phenethyl)pyridin-4-amine; 212506-01-9; CTK0I9588; DTXSID00658166; ZINC29412450; BDBM50070788; AKOS030550684; N-{2-[4-(Benzyloxy)phenyl]ethyl}pyridin-4-amine; [2-(4-Benzyloxy-phenyl)-ethyl]-pyridin-4-yl-amine; 4-Pyridinamine, N-[2-[4-(phenylmethoxy)phenyl]ethyl]-

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)

304.4

Logarithm of the Partition Coefficient (xlogp)

4.3

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C20H20N2O
IUPAC Name: N-[2-(4-phenylmethoxyphenyl)ethyl]pyridin-4-amine
Canonical SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)CCNC3=CC=NC=C3
InChI: InChI=1S/C20H20N2O/c1-2-4-18(5-3-1)16-23-20-8-6-17(7-9-20)10-15-22-19-11-13-21-14-12-19/h1-9,11-14H,10,15-16H2,(H,21,22)
InChIKey: WPBRSJXCRWSAHJ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 44292136
CAS Number: 212506-01-9
TTD ID: D07SGS

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glutamate receptor ionotropic NMDA 2B (NMDAR2B)	TTN9D8E	NMDE2_HUMAN	Inhibitor	[1]
Voltage-gated potassium channel Kv11.1 (KCNH2)	TTQ6VDM	KCNH2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Identification and characterization of 4-methylbenzyl 4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate, an orally bioavailable, brain penetr... J Med Chem. 2007 Feb 22;50(4):807-19.