Details of the Drug

General Information of Drug (ID: DMKYF5U)

Drug Name

Piperidine-1-carboxamidine

Synonyms

Piperidine-1-carboxamidine; piperidine-1-carboximidamide; 4705-39-9; 1-Piperidinecarboximidamide; piperidinecarboxamidine; 1-(aminoiminomethyl)-; CHEMBL103102; amidinopiperdine; amidinopiperidine; MRZ; AC1L4DUO; AC1Q4YZ7; SCHEMBL1228214; CTK4I9701; DTXSID50276834; MolPort-000-511-098; QUUYRYYUKNNNNS-UHFFFAOYSA-N; ZINC159755; SBB079071; HTS003411; BDBM50037981; STK210669; BBL015601; AKOS000225517; MCULE-4074763290; SC-65494; AJ-15523; Piperidine-1-Carboximidamide Hydrobromide; KB-275095; DB-070770; FT-0742354; ST50161491

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

127.19

Logarithm of the Partition Coefficient (xlogp)

0.2

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C6H13N3
IUPAC Name: piperidine-1-carboximidamide
Canonical SMILES: C1CCN(CC1)C(=N)N
InChI: InChI=1S/C6H13N3/c7-6(8)9-4-2-1-3-5-9/h1-5H2,(H3,7,8)
InChIKey: QUUYRYYUKNNNNS-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 205051
CAS Number: 4705-39-9
TTD ID: D0M1LO

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	GRID/CPCA: a new computational tool to design selective ligands. J Med Chem. 2000 Aug 10;43(16):3033-44.