EcoDrugPlus


Synonyms	Ec 17 Ec-17 Ec17 (folate-fitc) Folate-fitc Folate-fluorescein conjugate
Status
Molecule Category	Free-form
UNII	V7YQ6134AE
EPA CompTox	DTXSID40207031

Synonyms

Ec 17

Ec-17

Ec17 (folate-fitc)

Folate-fitc

Folate-fluorescein conjugate

Status

Molecule Category

Free-form

UNII

V7YQ6134AE

EPA CompTox

DTXSID40207031


InChI Key	ZMTAPBHUSYTHBY-PMERELPUSA-N
Smiles	NC(=O)CC[C@@H](C(=O)O)N(CCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1
InChI	InChI=1S/C42H36N10O10S/c43-33(55)12-11-30(38(58)59)52(37(57)20-1-3-21(4-2-20)46-18-23-19-47-35-34(48-23)36(56)51-40(44)50-35)14-13-45-41(63)49-22-5-8-27-26(15-22)39(60)62-42(27)28-9-6-24(53)16-31(28)61-32-17-25(54)7-10-29(32)42/h1-10,15-17,19,30,46,53-54H,11-14,18H2,(H2,43,55)(H,58,59)(H2,45,49,63)(H3,44,47,50,51,56)/t30-/m0/s1

InChI Key

ZMTAPBHUSYTHBY-PMERELPUSA-N

Smiles

NC(=O)CC[C@@H](C(=O)O)N(CCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1

InChI

InChI=1S/C42H36N10O10S/c43-33(55)12-11-30(38(58)59)52(37(57)20-1-3-21(4-2-20)46-18-23-19-47-35-34(48-23)36(56)51-40(44)50-35)14-13-45-41(63)49-22-5-8-27-26(15-22)39(60)62-42(27)28-9-6-24(53)16-31(28)61-32-17-25(54)7-10-29(32)42/h1-10,15-17,19,30,46,53-54H,11-14,18H2,(H2,43,55)(H,58,59)(H2,45,49,63)(H3,44,47,50,51,56)/t30-/m0/s1

Property Name	Value
Molecular Formula	C42H36N10O10S
Molecular Weight	872.88
AlogP	3.03
Hydrogen Bond Acceptor	15.0
Hydrogen Bond Donor	9.0
Number of Rotational Bond	13.0
Polar Surface Area	310.33
Molecular species	ACID
Aromatic Rings	6.0
Heavy Atoms	63.0

Property Name

Value

Molecular Formula

C42H36N10O10S

Molecular Weight

872.88

AlogP

3.03

Hydrogen Bond Acceptor

15.0

Hydrogen Bond Donor

9.0

Number of Rotational Bond

13.0

Polar Surface Area

310.33

Molecular species

ACID

Aromatic Rings

6.0

Heavy Atoms

63.0

Resources	Reference
ChEMBL	CHEMBL4297279
DrugBank	DB12559
FDA SRS	V7YQ6134AE
PubChem	135564966
ZINC	ZINC000206179007

Resources

Reference

ChEMBL

DrugBank

FDA SRS

PubChem

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

EC-17

Structure

Physicochemical Descriptors

Cross References