Details of the Drug

General Information of Drug (ID: DMTXNZK)

Drug Name

Icofungipen

Synonyms

PLD-118; 198022-65-0; UNII-I20202Q8M8; BAY-10-8888; I20202Q8M8; Cyclopentanecarboxylic acid, 2-amino-4-methylene-, (1R,2S)-; Icofungipen [INN]; (1R,2S)-2-Amino-4-methylene-cyclopentanecarboxylic acid; PLD118; PLD 118; 156292-16-9; BAY 10-8888; (1r,2s)-2-amino-4-methylidenecyclopentanecarboxylic acid; AC1Q5QVF; AC1L50CI; 2-amino-4-methylenecyclopentane-1-carboxylic acid; SCHEMBL117349; CHEMBL343803; CTK0H0639; DTXSID90173515; RKOUGZGFAYMUIO-RITPCOANSA-N; (1R,2S)-2-amino-4-methylidenecyclopentane-1-carboxylic acid; Icofungipen [INN]; (1R,2S)-2-Amino-4-methylenecyclopentane-1-carboxylic acid; AHMA

Indication

Disease Entry	ICD 11	Status	REF
Fungal infection	1F29-1F2F	Phase 2	[1]
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Therapeutic Class

Antifungal Agents

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

141.17

Logarithm of the Partition Coefficient (xlogp)

-2.1

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C7H11NO2
IUPAC Name: (1R,2S)-2-amino-4-methylidenecyclopentane-1-carboxylic acid
Canonical SMILES: C=C1C[C@H]([C@H](C1)N)C(=O)O
InChI: InChI=1S/C7H11NO2/c1-4-2-5(7(9)10)6(8)3-4/h5-6H,1-3,8H2,(H,9,10)/t5-,6+/m1/s1
InChIKey: RKOUGZGFAYMUIO-RITPCOANSA-N

Cross-matching ID

PubChem CID: 216240
CAS Number: 198022-65-0
TTD ID: D09XUY

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
DNA topoisomerase (TOP)	TT2GPK3	NOUNIPROTAC	Inhibitor	[2]
Fungal Isoleucyl t-RNA synthetase (Fung ILS1)	TTBZHDM	SYIC_YEAST	Modulator	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Efficacy, plasma pharmacokinetics, and safety of icofungipen, an inhibitor of Candida isoleucyl-tRNA synthetase, in treatment of experimental disseminated candidiasis in persistently neutropenic rabbits. Antimicrob Agents Chemother. 2005 May;49(5):2084-92.
2	Crystallization and preliminary X-ray analysis of anti-cancer agent 3-(9-acridinylamino)-5-(hydroxymethyl)aniline complexed with the DNA hexamer d(CGTACG)2. Biochim Biophys Acta. 2003 Jan 3;1625(1):27-9.