EcoDrugPlus


Synonyms	CP 4055 CP-4055 Elacytarabine P-4055
Status
Molecule Category	Free-form
UNII	TA7WJG93AR


InChI Key	FLFGNMFWNBOBGE-FNNZEKJRSA-N
Smiles	CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](O)[C@@H]1O
InChI	InChI=1S/C27H45N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(31)35-20-21-24(32)25(33)26(36-21)30-19-18-22(28)29-27(30)34/h9-10,18-19,21,24-26,32-33H,2-8,11-17,20H2,1H3,(H2,28,29,34)/b10-9+/t21-,24-,25+,26-/m1/s1

Property Name	Value
Molecular Formula	C27H45N3O6
Molecular Weight	507.67
AlogP	4.03
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	18.0
Polar Surface Area	136.9
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	36.0

Mechanism of Action	Action	Reference
DNA inhibitor	INHIBITOR	PubMed PubMed

Resources	Reference
ChEMBL	CHEMBL2105665
DrugBank	DB05494
FDA SRS	TA7WJG93AR
PubChem	6438895
SureChEMBL	SCHEMBL15140172

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

ELACYTARABINE

Structure

Physicochemical Descriptors

Pharmacology

Related Entries

Cross References