Details of the Drug

General Information of Drug (ID: DMBS61O)

Drug Name

4-methoxynaphthalen-1-amine

Synonyms

4-methoxynaphthalen-1-amine; 16430-99-2; 1-Naphthalenamine, 4-methoxy-; 1-amino-4-methoxynaphthalene; CHEMBL572058; JVMUPDOMGALPOW-UHFFFAOYSA-N; F2146-0572; 4-methoxy naphthylamine; ACMC-209dqv; 4-methoxy-1-naphthalenamine; 1-methoxy-4-naphthalenamine; SCHEMBL331453; 1 -amino-4-methoxy-naphthalene; CTK8B0935; DTXSID80454284; ZINC11919966; BDBM50303938; ANW-22085; AKOS009236876; MCULE-9788991699; 4-methoxynaphthalen-1-amine, AldrichCPR; CJ-13724; AJ-60498; TC-110830; FT-0750226

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)

173.21

Logarithm of the Partition Coefficient (xlogp)

2.9

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C11H11NO
IUPAC Name: 4-methoxynaphthalen-1-amine
Canonical SMILES: COC1=CC=C(C2=CC=CC=C21)N
InChI: InChI=1S/C11H11NO/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,12H2,1H3
InChIKey: JVMUPDOMGALPOW-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11074644
CAS Number: 16430-99-2
TTD ID: D0Z4JG

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Indoleamine 2,3-dioxygenase 1 (IDO1)	TTZJYKH	I23O1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Rational design of indoleamine 2,3-dioxygenase inhibitors. J Med Chem. 2010 Feb 11;53(3):1172-89.