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]
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) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
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
TTD ID
DJ8CY4
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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.