Details of the Drug

General Information of Drug (ID: DM3UMYD)

Drug Name
2-(2-Hydroxy-phenyl)-1H-indole-5-carboxamidine
Synonyms
2-(2-hydroxy-phenyl)-1h-indole-5-carboxamidine; amino[2-(2-hydroxyphenyl)-1H-indol-5-yl]methaniminium; AC1L1BMI; BDBM13942; CTK8A0256; APC-8328; DB02463; [amino-[2-(2-hydroxyphenyl)-1H-indol-5-yl]methylidene]azanium
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) 252.29
Topological Polar Surface Area (xlogp) 2.3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C15H14N3O+
IUPAC Name
[amino-[2-(2-hydroxyphenyl)-1H-indol-5-yl]methylidene]azanium
Canonical SMILES
C1=CC=C(C(=C1)C2=CC3=C(N2)C=CC(=C3)C(=[NH2+])N)O
InChI
InChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)/p+1
InChIKey
JPGNPKIYCTXJPG-UHFFFAOYSA-O
Cross-matching ID
PubChem CID
1507
DrugBank ID
DB02463
TTD ID
D08OLP

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cationic trypsinogen (PRSS1) TT2WR1T TRY1_HUMAN Inhibitor [1]
Coagulation factor IIa (F2) TT6L509 THRB_HUMAN Inhibitor [1]
Plasminogen (PLG) TTP86E2 PLMN_HUMAN Inhibitor [1]
Tissue-type plasminogen activator (PLAT) TTXAGYU TPA_HUMAN Inhibitor [1]
Urokinase-type plasminogen activator (PLAU) TTGY7WI UROK_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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