EcoDrugPlus


Synonyms	Afabicin
Status
Molecule Category	Free-form
UNII	DMM8663H2R


InChI Key	HFYMDQMXVPJNTH-VQHVLOKHSA-N
Smiles	Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3COP(=O)(O)O)oc2ccccc12
InChI	InChI=1S/C23H24N3O7P/c1-15-18-5-3-4-6-19(18)33-20(15)13-25(2)21(27)9-7-16-11-17-8-10-22(28)26(23(17)24-12-16)14-32-34(29,30)31/h3-7,9,11-12H,8,10,13-14H2,1-2H3,(H2,29,30,31)/b9-7+

Property Name	Value
Molecular Formula	C23H24N3O7P
Molecular Weight	485.43
AlogP	3.15
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	7.0
Polar Surface Area	133.41
Molecular species	ACID
Aromatic Rings	3.0
Heavy Atoms	34.0

Mechanism of Action	Action	Reference
Enoyl-[acyl-carrier-protein] reductase [NADPH] inhibitor	INHIBITOR	Other PubMed

Resources	Reference
ChEMBL	CHEMBL4297501
DrugBank	DB15268
FDA SRS	DMM8663H2R
Guide to Pharmacology	10754
PubChem	72696796
SureChEMBL	SCHEMBL15479062

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

AFABICIN

Structure

Physicochemical Descriptors

Pharmacology

Related Entries

Cross References