Details of the Drug

General Information of Drug (ID: DMJVCS1)

Drug Name

RWJ-671818

Synonyms

RWJ-671818; CHEMBL1083499; N-[2-(Carbamimidamidooxy)ethyl]-2-{3-[(2,2-Difluoro-2-Phenylethyl)amino]-6-Methyl-2-Oxopyrazin-1(2h)-Yl}acetamide; SCHEMBL3243104; BDBM50312651; NLI

Indication

Disease Entry	ICD 11	Status	REF
Thrombosis	DB61-GB90	Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

423.4

Logarithm of the Partition Coefficient (xlogp)

0.1

Rotatable Bond Count (rotbonds)

10

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C18H23F2N7O3
IUPAC Name: N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]acetamide
Canonical SMILES: CC1=CN=C(C(=O)N1CC(=O)NCCON=C(N)N)NCC(C2=CC=CC=C2)(F)F
InChI: InChI=1S/C18H23F2N7O3/c1-12-9-24-15(25-11-18(19,20)13-5-3-2-4-6-13)16(29)27(12)10-14(28)23-7-8-30-26-17(21)22/h2-6,9H,7-8,10-11H2,1H3,(H,23,28)(H,24,25)(H4,21,22,26)
InChIKey: IDCKXHIGLKQWMM-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 9866964
TTD ID: D00LOB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Coagulation factor IIa (F2)	TT6L509	THRB_HUMAN	Modulator	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Discovery and clinical evaluation of 1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone (RW... J Med Chem. 2010 Feb 25;53(4):1843-56.