Details of the Drug

General Information of Drug (ID: DMR251H)

Drug Name

FR233623

Synonyms

UNII-10302WQ21V; FR233623; CHEMBL93560; 10302WQ21V; 1H-Imidazole-4-carboxamide, 1-((1R,2S)-2-hydroxy-1-(2-(1-naphthalenyl)ethyl)propyl)-; 1-{(1R,2S)-2-HYDROXY-1-[2-(1-NAPHTHYL)ETHYL]PROPYL}-1H-IMIDAZOLE-4-CARBOXAMIDE; 1-[(1R,2S)-2-hydroxy-1-(2-naphthalen-1-ylethyl)propyl]-1H-imidazole-4-carboxamide; 1H-Imidazole-4-carboxamide, 1-[(1R,2S)-2-hydroxy-1-[2-(1-naphthalenyl)ethyl]propyl]-; OODDZQQDDOVCFD-SCLBCKFNSA-N; 2e1w; FR-234938; AC1L9MM5; (+)-FR-234938; 256461-79-7; SCHEMBL6172027; BDBM22948; imidazole-4-carboxamide analog

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)

323.4

Logarithm of the Partition Coefficient (xlogp)

2.5

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C19H21N3O2
IUPAC Name: 1-[(3R,4S)-4-hydroxy-1-naphthalen-1-ylpentan-3-yl]imidazole-4-carboxamide
Canonical SMILES: C[C@@H]([C@@H](CCC1=CC=CC2=CC=CC=C21)N3C=C(N=C3)C(=O)N)O
InChI: InChI=1S/C19H21N3O2/c1-13(23)18(22-11-17(19(20)24)21-12-22)10-9-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,11-13,18,23H,9-10H2,1H3,(H2,20,24)/t13-,18+/m0/s1
InChIKey: OODDZQQDDOVCFD-SCLBCKFNSA-N

Cross-matching ID

PubChem CID: 449013
CAS Number: 256461-79-7
DrugBank ID: DB03220
TTD ID: D0D7CM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine deaminase (ADA)	TTLP57V	ADA_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.