EcoDrugPlus


Synonyms	F-901318 F901318 Olorofim
Status
Molecule Category	Free-form
UNII	T34SH2H9HI

Synonyms

F-901318

F901318

Olorofim

Status

Molecule Category

Free-form

UNII

T34SH2H9HI


InChI Key	SUFPWYYDCOKDLL-UHFFFAOYSA-N
Smiles	Cc1cc(-c2ccccc2)c(C(=O)C(=O)Nc2ccc(N3CCN(c4ncc(F)cn4)CC3)cc2)n1C
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)

InChI Key

SUFPWYYDCOKDLL-UHFFFAOYSA-N

Smiles

Cc1cc(-c2ccccc2)c(C(=O)C(=O)Nc2ccc(N3CCN(c4ncc(F)cn4)CC3)cc2)n1C

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)

Property Name	Value
Molecular Formula	C28H27FN6O2
Molecular Weight	498.56
AlogP	4.08
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	83.36
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	37.0

Property Name

Value

Molecular Formula

C28H27FN6O2

Molecular Weight

498.56

AlogP

4.08

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

6.0

Polar Surface Area

83.36

Molecular species

NEUTRAL

Aromatic Rings

4.0

Heavy Atoms

37.0

Mechanism of Action	Action	Reference
Dihydroorotate dehydrogenase (quinone), mitochondrial inhibitor	INHIBITOR	PubMed PubMed PubMed

Mechanism of Action

Action

Reference

Dihydroorotate dehydrogenase (quinone), mitochondrial inhibitor

INHIBITOR

PubMed PubMed PubMed

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Aspergillus fumigatus	-	44	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Aspergillus fumigatus

Resources	Reference
ChEMBL	CHEMBL4297609
DrugBank	DB15245
FDA SRS	T34SH2H9HI
SureChEMBL	SCHEMBL17767345

Resources

Reference

ChEMBL

DrugBank

FDA SRS

SureChEMBL

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

OLOROFIM

Structure

Physicochemical Descriptors

Pharmacology

Cross References