Details of the Drug

General Information of Drug (ID: DM2CUS0)

Drug Name

F901318

Synonyms

Olorofim; F-901318; UNII-T34SH2H9HI; T34SH2H9HI; 1928707-56-5; 2-(1,5-dimethyl-3-phenyl-1H-pyrrol-2-yl)-N-(4-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)phenyl)-2-oxoacetamide; CHEMBL4297609; SCHEMBL17767345; BCP25872; BDBM50526857; DB15245; SB19827; F901318; F 901318; Olorofim; HY-104029; CS-0025660; Q27896127; CN1C(=C(C=C1C)C1=CC=CC=C1)C(C(=O)NC1=CC=C(C=C1)N1CCN(CC1)C1=NC=C(C=N1)F)=O; 1H-Pyrrole-2-acetamide, N-(4-(4-(5-fluoro-2-pyrimidinyl)-1-piperazinyl)phenyl)-1,5-dimethyl-alpha-oxo-3-phenyl-; 2-(1,5-Dimethyl-3-phenyl-pyrrol-2-yl)-N-(4-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)phenyl)-2-oxo-acetamide

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

498.6

Logarithm of the Partition Coefficient (xlogp)

4.2

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C28H27FN6O2
IUPAC Name: 2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]phenyl]-2-oxoacetamide
Canonical SMILES: CC1=CC(=C(N1C)C(=O)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C4=NC=C(C=N4)F)C5=CC=CC=C5
InChI: InChI=1S/C28H27FN6O2/c1-19-16-24(20-6-4-3-5-7-20)25(33(19)2)26(36)27(37)32-22-8-10-23(11-9-22)34-12-14-35(15-13-34)28-30-17-21(29)18-31-28/h3-11,16-18H,12-15H2,1-2H3,(H,32,37)
InChIKey: SUFPWYYDCOKDLL-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 91885568
CAS Number: 1928707-56-5
UNII: T34SH2H9HI
DrugBank ID: DB15245
TTD ID: DJ8CY4

Combinatorial Drugs (CBD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Aspergillus Dihydroorotate dehydrogenase (Aspergillus DHODH)	TTTSUI2	G5EB61_EMENI	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	ClinicalTrials.gov (NCT03583164) Evaluate F901318 Treatment of Invasive Fungal Infections in Patients Lacking Treatment Options (FORMULA-OLS). U.S. National Institutes of Health.
2	Effect of the Novel Antifungal Drug F901318 (Olorofim) on Growth and Viability of Aspergillus fumigatus. Antimicrob Agents Chemother. 2018 Jul 27;62(8):e00231-18.