EcoDrugPlus


Synonyms	FK-778 FK778 Fk778 HMR 1715 HMR-1715 MNA-715 Manitimus
Status
Molecule Category	Free-form
UNII	4B135RK2KL


InChI Key	OQUXVPJVBSENGK-QXMHVHEDSA-N
Smiles	N#CCC/C(O)=C(\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1
InChI	InChI=1S/C14H10F3N3O2/c15-14(16,17)9-3-5-10(6-4-9)20-13(22)11(8-19)12(21)2-1-7-18/h3-6,21H,1-2H2,(H,20,22)/b12-11-

Property Name	Value
Molecular Formula	C14H10F3N3O2
Molecular Weight	309.25
AlogP	3.28
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	96.91
Molecular species	ACID
Aromatic Rings	1.0
Heavy Atoms	22.0

Resources	Reference
ChEMBL	CHEMBL2107757
FDA SRS	4B135RK2KL
PubChem	54686843
ZINC	ZINC000100372705

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

MANITIMUS

Structure

Physicochemical Descriptors

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