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
DrugBank ID
DB01977
TTD ID
D0A8WP

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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.