EcoDrugPlus


Synonyms	FPL 59002 FPL-59002 Nedocromil
Status
Molecule Category	Free-form
ATC	R01AC07 R03BC03 S01GX04
UNII	0B535E0BN0
EPA CompTox	DTXSID7023356

Synonyms

FPL 59002

FPL-59002

Nedocromil

Status

Molecule Category

Free-form

ATC

R01AC07 R03BC03 S01GX04

UNII

0B535E0BN0

EPA CompTox

DTXSID7023356


InChI Key	RQTOOFIXOKYGAN-UHFFFAOYSA-N
Smiles	CCCc1c2oc(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)n(CC)c12
InChI	InChI=1S/C19H17NO7/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26)

InChI Key

RQTOOFIXOKYGAN-UHFFFAOYSA-N

Smiles

CCCc1c2oc(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)n(CC)c12

InChI

InChI=1S/C19H17NO7/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26)

Property Name	Value
Molecular Formula	C19H17NO7
Molecular Weight	371.35
AlogP	2.48
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	126.81
Molecular species	ACID
Aromatic Rings	3.0
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C19H17NO7

Molecular Weight

371.35

AlogP

2.48

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

5.0

Polar Surface Area

126.81

Molecular species

ACID

Aromatic Rings

3.0

Heavy Atoms

27.0

Resources	Reference
ChEBI	7492
ChEMBL	CHEMBL746
DrugBank	DB00716
DrugCentral	1889
FDA SRS	0B535E0BN0
Human Metabolome Database	HMDB0014854
Guide to Pharmacology	7607
KEGG	C07255
PharmGKB	PA450601
PubChem	50294
SureChEMBL	SCHEMBL4611
ZINC	ZINC000003782807

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

Human Metabolome Database

HMDB0014854

Guide to Pharmacology

KEGG

PharmGKB

PubChem

SureChEMBL

ZINC

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

NEDOCROMIL

Structure

Physicochemical Descriptors

Cross References