DELANZOMIB

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Search structure


Synonyms	CEP 18770 CEP-18770 CIP 18770 CIP-18770 CT 47098 CT-47098 Delanzomib NPH 007098 NPH-007098 NPH007098
Status
Molecule Category	Free-form
UNII	6IF28942WO

Structure


InChI Key	SJFBTAPEPRWNKH-CCKFTAQKSA-N
Smiles	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)[C@@H](C)O)B(O)O
InChI	InChI=1S/C21H28BN3O5/c1-13(2)12-18(22(29)30)24-21(28)19(14(3)26)25-20(27)17-11-7-10-16(23-17)15-8-5-4-6-9-15/h4-11,13-14,18-19,26,29-30H,12H2,1-3H3,(H,24,28)(H,25,27)/t14-,18+,19+/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C21H28BN3O5
Molecular Weight	413.28

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Protease Aspartic protease Aspartic protease AA clan Aspartic protease A1A subfamily	-	-	-	-	-3-1
Enzyme Protease Cysteine protease Cysteine protease CA clan Cysteine protease C1A family	-	-	-	-	-8-27
Enzyme Protease Cysteine protease Cysteine protease CA clan Cysteine protease C2 family	-	-	-	-	0
Enzyme Protease Cysteine protease Cysteine protease CD clan Cysteine protease C14 family	-	-	-	-	-2-2
Enzyme Protease Cysteine protease Cysteine protease PAC clan Cysteine protease C3A subfamily	-	-	-	-	1
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M13 family	-	-	-	-	12-21
Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M10A subfamily	-	-	-	-	-5-4
Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M12B subfamily	-	-	-	-	1
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily	13.5	13.7	-	-	-2-86
Enzyme Protease Serine protease Serine protease SC clan Serine protease S9B subfamily	-	-	-	-
Enzyme Protease Threonine protease Threonine protease PBT clan Threonine protease T1A subfamily	-	3-31	-	-	-
Enzyme Protease Threonine protease Threonine protease PBT clan Threonine protease T1B subfamily	-	1	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Bos taurus	-	-	-	-
Homo sapiens	13.5-13.5	1-70	-	-	-5-86
Human immunodeficiency virus 1	-	-	-	-	1
Oryctolagus cuniculus	-	10-59	-	-	-
Sus scrofa	-	-	-	-	-6--5

Cross References

Resources	Reference
ChEBI	141530
ChEMBL	CHEMBL270515
DrugBank	DB11956
FDA SRS	6IF28942WO
PubChem	24800541
SureChEMBL	SCHEMBL555047
ZINC	ZINC000169748228

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