None is not found in the database.

DELAMANID


Synonyms	Delamanid Deltyba OPC-67683 Opc 67683
Status
Molecule Category	Free-form
ATC	J04AK06
UNII	8OOT6M1PC7
EPA CompTox	DTXSID60218326

Structure


InChI Key	XDAOLTSRNUSPPH-XMMPIXPASA-N
Smiles	C[C@]1(COc2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1
InChI	InChI=1S/C25H25F3N4O6/c1-24(15-31-14-22(32(33)34)29-23(31)38-24)16-35-18-4-2-17(3-5-18)30-12-10-20(11-13-30)36-19-6-8-21(9-7-19)37-25(26,27)28/h2-9,14,20H,10-13,15-16H2,1H3/t24-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C25H25F3N4O6
Molecular Weight	534.49
AlogP	4.97
Hydrogen Bond Acceptor	9.0
Number of Rotational Bond	8.0
Polar Surface Area	101.12
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	38.0

Pharmacology

Mechanism of Action	Action	Reference
Mycobacterium tuberculosis H37Rv inhibitor	INHIBITOR	Other PMC PubMed

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Leishmania donovani	87	0.12-1.5	-	-	-
Leishmania infantum	-	-	-	-	21.7-65.7
Trypanosoma cruzi	-	430	-	-	-

Cross References

Resources	Reference
ChEBI	134742
ChEMBL	CHEMBL218650
DrugBank	DB11637
DrugCentral	4819
FDA SRS	8OOT6M1PC7
PubChem	6480466
SureChEMBL	SCHEMBL57791
ZINC	ZINC000043100810

CONTENTS

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