Details of the Drug

General Information of Drug (ID: DMHM0RW)

Drug Name
6-(N-Phenylcarbamyl)-2-Naphthalenecarboxamidine
Synonyms
6-(N-PHENYLCARBAMYL)-2-NAPHTHALENECARBOXAMIDINE; CHEMBL104937; 6-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-2-NAPHTHAMIDE; 6-carbamimidoyl-N-phenylnaphthalene-2-carboxamide; 1owe; uPa_7; AC1L9L6A; SCHEMBL4324160; ZINC2047486; BDBM50138670; 6-carbamimidoyl-N-phenyl-2-naphthamide; DB01977; 6-Carbamimidoyl-naphthalene-2-carboxylic acid phenylamide
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) 289.3
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C18H15N3O
IUPAC Name
6-carbamimidoyl-N-phenylnaphthalene-2-carboxamide
Canonical SMILES
C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C=C(C=C3)C(=N)N
InChI
InChI=1S/C18H15N3O/c19-17(20)14-8-6-13-11-15(9-7-12(13)10-14)18(22)21-16-4-2-1-3-5-16/h1-11H,(H3,19,20)(H,21,22)
InChIKey
AECPTICWHONWNW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
447732
ChEBI ID
CHEMBL104937
DrugBank ID
DB01977
TTD ID
D0A8WP
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Urokinase-type plasminogen activator (PLAU) TTGY7WI UROK_HUMAN Inhibitor [1]
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Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Urokinase-type plasminogen activator (PLAU) DTT PLAU 5.32E-70 1.07 1.82
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.