EcoDrugPlus


Synonyms	ALS-008176 Als-8176 Lumicitabine
Status
Molecule Category	Free-form
UNII	BNW5PQ52G1

Synonyms

ALS-008176

Als-8176

Lumicitabine

Status

Molecule Category

Free-form

UNII

BNW5PQ52G1


InChI Key	MJVKYGMNSQJLIN-KYZVSKTDSA-N
Smiles	CC(C)C(=O)OC[C@@]1(CCl)O[C@@H](n2ccc(N)nc2=O)[C@H](F)[C@@H]1OC(=O)C(C)C
InChI	InChI=1S/C18H25ClFN3O6/c1-9(2)15(24)27-8-18(7-19)13(28-16(25)10(3)4)12(20)14(29-18)23-6-5-11(21)22-17(23)26/h5-6,9-10,12-14H,7-8H2,1-4H3,(H2,21,22,26)/t12-,13+,14-,18-/m1/s1

InChI Key

MJVKYGMNSQJLIN-KYZVSKTDSA-N

Smiles

CC(C)C(=O)OC[C@@]1(CCl)O[C@@H](n2ccc(N)nc2=O)[C@H](F)[C@@H]1OC(=O)C(C)C

InChI

InChI=1S/C18H25ClFN3O6/c1-9(2)15(24)27-8-18(7-19)13(28-16(25)10(3)4)12(20)14(29-18)23-6-5-11(21)22-17(23)26/h5-6,9-10,12-14H,7-8H2,1-4H3,(H2,21,22,26)/t12-,13+,14-,18-/m1/s1

Property Name	Value
Molecular Formula	C18H25ClFN3O6
Molecular Weight	433.86
AlogP	1.44
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	7.0
Polar Surface Area	122.74
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	29.0

Property Name

Value

Molecular Formula

C18H25ClFN3O6

Molecular Weight

433.86

AlogP

1.44

Hydrogen Bond Acceptor

9.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

7.0

Polar Surface Area

122.74

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

29.0

Mechanism of Action	Action	Reference
RNA-directed RNA polymerase L inhibitor	INHIBITOR	PubMed

Mechanism of Action

Action

Reference

RNA-directed RNA polymerase L inhibitor

INHIBITOR

PubMed

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Respiratory syncytial virus	260	-	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Respiratory syncytial virus

260

Resources	Reference
ChEMBL	CHEMBL3417258
DrugBank	DB14808
FDA SRS	BNW5PQ52G1
PubChem	89658382
SureChEMBL	SCHEMBL15070623
ZINC	ZINC000147003908

Resources

Reference

ChEMBL

DrugBank

FDA SRS

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...

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Last update: Monday, 3 November 2025

LUMICITABINE

Structure

Physicochemical Descriptors

Pharmacology

Cross References