EcoDrugPlus


Synonyms	(north)-methanocarbathymidine N-mct N-methanocarbathymidine North-methanocarbathymidine
Status
Molecule Category	Free-form
UNII	LTM5S02010

Synonyms

(north)-methanocarbathymidine

N-mct

N-methanocarbathymidine

North-methanocarbathymidine

Status

Molecule Category

Free-form

UNII

LTM5S02010


InChI Key	NOWRLNPOENZFHP-ARHDFHRDSA-N
Smiles	Cc1cn([C@H]2C[C@H](O)[C@]3(CO)C[C@H]23)c(=O)[nH]c1=O
InChI	InChI=1S/C12H16N2O4/c1-6-4-14(11(18)13-10(6)17)8-2-9(16)12(5-15)3-7(8)12/h4,7-9,15-16H,2-3,5H2,1H3,(H,13,17,18)/t7-,8+,9+,12+/m1/s1

InChI Key

NOWRLNPOENZFHP-ARHDFHRDSA-N

Smiles

Cc1cn([C@H]2C[C@H](O)[C@]3(CO)C[C@H]23)c(=O)[nH]c1=O

InChI

InChI=1S/C12H16N2O4/c1-6-4-14(11(18)13-10(6)17)8-2-9(16)12(5-15)3-7(8)12/h4,7-9,15-16H,2-3,5H2,1H3,(H,13,17,18)/t7-,8+,9+,12+/m1/s1

Property Name	Value
Molecular Formula	C12H16N2O4
Molecular Weight	252.27
AlogP	-0.85
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	95.32
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C12H16N2O4

Molecular Weight

252.27

AlogP

-0.85

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

95.32

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

18.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	40-470	-	-	-	-
Human herpesvirus 1	-	120	-	-	-
Human herpesvirus 2	350	-	-	-	-
herpes simplex virus	120	-	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

40-470

Human herpesvirus 1

120

Human herpesvirus 2

350

herpes simplex virus

120

Resources	Reference
ChEBI	46026
ChEMBL	CHEMBL146673
FDA SRS	LTM5S02010
PDB	TMC
ZINC	ZINC000003834174

Resources

Reference

ChEBI

ChEMBL

FDA SRS

PDB

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...

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Last update: Monday, 3 November 2025

(NORTH)-METHANOCARBATHYMIDINE

Structure

Physicochemical Descriptors

Pharmacology

Cross References