EcoDrugPlus


Synonyms	Coltramyl Coltrax Miorel Musco-ril NSC-147755 Thiocolchicine 2-glucoside analog Thiocolchicine glycoside Thiocolchicoside
Status
Molecule Category	Free-form
ATC	M03BX05
UNII	T1X8S697GT

Synonyms

Coltramyl

Coltrax

Miorel

Musco-ril

NSC-147755

Thiocolchicine 2-glucoside analog

Thiocolchicine glycoside

Thiocolchicoside

Status

Molecule Category

Free-form

ATC

M03BX05

UNII

T1X8S697GT


InChI Key	LEQAKWQJCITZNK-MSQQGMGVSA-N
Smiles	COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1C(NC(C)=O)CC2
InChI	InChI=1S/C27H33NO10S/c1-12(30)28-16-7-5-13-9-18(37-27-24(34)23(33)22(32)19(11-29)38-27)25(35-2)26(36-3)21(13)14-6-8-20(39-4)17(31)10-15(14)16/h6,8-10,16,19,22-24,27,29,32-34H,5,7,11H2,1-4H3,(H,28,30)/t16?,19-,22-,23+,24-,27-/m1/s1

InChI Key

LEQAKWQJCITZNK-MSQQGMGVSA-N

Smiles

COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1C(NC(C)=O)CC2

InChI

InChI=1S/C27H33NO10S/c1-12(30)28-16-7-5-13-9-18(37-27-24(34)23(33)22(32)19(11-29)38-27)25(35-2)26(36-3)21(13)14-6-8-20(39-4)17(31)10-15(14)16/h6,8-10,16,19,22-24,27,29,32-34H,5,7,11H2,1-4H3,(H,28,30)/t16?,19-,22-,23+,24-,27-/m1/s1

Property Name	Value
Molecular Formula	C27H33NO10S
Molecular Weight	563.63
AlogP	0.76
Hydrogen Bond Acceptor	11.0
Hydrogen Bond Donor	5.0
Number of Rotational Bond	7.0
Polar Surface Area	164.01
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	39.0

Property Name

Value

Molecular Formula

C27H33NO10S

Molecular Weight

563.63

AlogP

0.76

Hydrogen Bond Acceptor

11.0

Hydrogen Bond Donor

5.0

Number of Rotational Bond

7.0

Polar Surface Area

164.01

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

39.0

Resources	Reference
ChEBI	91529
ChEMBL	CHEMBL1705373
FDA SRS	T1X8S697GT
PubChem	9915886
SureChEMBL	SCHEMBL719194

Resources

Reference

ChEBI

ChEMBL

FDA SRS

PubChem

SureChEMBL

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

THIOCOLCHICOSIDE

Structure

Physicochemical Descriptors

Cross References