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]
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
ChEBI ID
CHEMBL572058
CAS Number
16430-99-2
TTD ID
D0Z4JG
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
Molecular Interaction Atlas (MIA) 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.