EcoDrugPlus


Synonyms	EM 1421 EM-1421 Terameprocol
Status
Molecule Category	Free-form
UNII	53YET703F2

Synonyms

EM 1421

EM-1421

Terameprocol

Status

Molecule Category

Free-form

UNII

53YET703F2


InChI Key	ORQFDHFZSMXRLM-IYBDPMFKSA-N
Smiles	COc1ccc(C[C@@H](C)[C@@H](C)Cc2ccc(OC)c(OC)c2)cc1OC
InChI	InChI=1S/C22H30O4/c1-15(11-17-7-9-19(23-3)21(13-17)25-5)16(2)12-18-8-10-20(24-4)22(14-18)26-6/h7-10,13-16H,11-12H2,1-6H3/t15-,16+

InChI Key

ORQFDHFZSMXRLM-IYBDPMFKSA-N

Smiles

COc1ccc(C[C@@H](C)[C@@H](C)Cc2ccc(OC)c(OC)c2)cc1OC

InChI

InChI=1S/C22H30O4/c1-15(11-17-7-9-19(23-3)21(13-17)25-5)16(2)12-18-8-10-20(24-4)22(14-18)26-6/h7-10,13-16H,11-12H2,1-6H3/t15-,16+

Property Name	Value
Molecular Formula	C22H30O4
Molecular Weight	358.48
AlogP	4.78
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	9.0
Polar Surface Area	36.92
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C22H30O4

Molecular Weight

358.48

AlogP

4.78

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

9.0

Polar Surface Area

36.92

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

26.0

Mechanism of Action	Action	Reference
DNA inhibitor	INHIBITOR	PubMed

Mechanism of Action

Action

Reference

DNA inhibitor

INHIBITOR

PubMed

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	-	-12.79-90.3
Schizosaccharomyces pombe	-	-	-	-	4.06-67.72

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

-12.79-90.3

Schizosaccharomyces pombe

4.06-67.72

Resources	Reference
ChEMBL	CHEMBL90983
DrugBank	DB12226
FDA SRS	53YET703F2
SureChEMBL	SCHEMBL194588
ZINC	ZINC000016953163

Resources

Reference

ChEMBL

DrugBank

FDA SRS

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

TERAMEPROCOL

Structure

Physicochemical Descriptors

Pharmacology

Cross References