EcoDrugPlus


Synonyms	ABBV-3067 Abbv-3067 GLPG-3067 GLPG3067 Navocaftor
Status
Molecule Category	Free-form
UNII	W2F2XU189O

Synonyms

ABBV-3067

Abbv-3067

GLPG-3067

GLPG3067

Navocaftor

Status

Molecule Category

Free-form

UNII

W2F2XU189O


InChI Key	WOXOLLSAICIZNO-UHFFFAOYSA-N
Smiles	Nc1cc(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cnc1-c1nnc(CO)o1
InChI	InChI=1S/C15H11F3N4O5S/c16-15(17,18)27-8-1-3-9(4-2-8)28(24,25)10-5-11(19)13(20-6-10)14-22-21-12(7-23)26-14/h1-6,23H,7,19H2

InChI Key

WOXOLLSAICIZNO-UHFFFAOYSA-N

Smiles

Nc1cc(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cnc1-c1nnc(CO)o1

InChI

InChI=1S/C15H11F3N4O5S/c16-15(17,18)27-8-1-3-9(4-2-8)28(24,25)10-5-11(19)13(20-6-10)14-22-21-12(7-23)26-14/h1-6,23H,7,19H2

Property Name	Value
Molecular Formula	C15H11F3N4O5S
Molecular Weight	416.34
AlogP	1.94
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	141.43
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C15H11F3N4O5S

Molecular Weight

416.34

AlogP

1.94

Hydrogen Bond Acceptor

9.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

5.0

Polar Surface Area

141.43

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

28.0

Resources	Reference
ChEMBL	CHEMBL4802150
FDA SRS	W2F2XU189O

Resources

Reference

ChEMBL

CHEMBL4802150

FDA SRS

W2F2XU189O

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

NAVOCAFTOR

Structure

Physicochemical Descriptors

Cross References