Details of the Drug

General Information of Drug (ID: DM14C9V)

Drug Name
4-(ethylamino)naphthalen-1-ol
Synonyms CHEMBL577335; 4-(ethylamino)-1-naphthol; 4-(ethylamino)naphthalen-1-ol; SCHEMBL12599061; BDBM50303902; AKOS022516437
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) 187.24
Logarithm of the Partition Coefficient (xlogp) 3.7
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C12H13NO
IUPAC Name
4-(ethylamino)naphthalen-1-ol
Canonical SMILES
CCNC1=CC=C(C2=CC=CC=C21)O
InChI
InChI=1S/C12H13NO/c1-2-13-11-7-8-12(14)10-6-4-3-5-9(10)11/h3-8,13-14H,2H2,1H3
InChIKey
SKQYPGROWSDIBN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
45487209
ChEBI ID
CHEMBL577335
TTD ID
D02XRG
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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.