EcoDrugPlus


Synonyms	BMS 275291-01 BMS-275291 BMS-275291-01 D-2163 D2163 Rebimastat
Status
Molecule Category	Free-form
UNII	1B47R6ZX4K

Synonyms

BMS 275291-01

BMS-275291

BMS-275291-01

D-2163

D2163

Rebimastat

Status

Molecule Category

Free-form

UNII

1B47R6ZX4K


InChI Key	GTXSRFUZSLTDFX-HRCADAONSA-N
Smiles	CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](S)CCN1C(=O)N(C)C(C)(C)C1=O)C(C)(C)C
InChI	InChI=1S/C23H41N5O5S/c1-13(2)12-14(17(29)26-16(19(31)24-8)22(3,4)5)25-18(30)15(34)10-11-28-20(32)23(6,7)27(9)21(28)33/h13-16,34H,10-12H2,1-9H3,(H,24,31)(H,25,30)(H,26,29)/t14-,15-,16+/m0/s1

InChI Key

GTXSRFUZSLTDFX-HRCADAONSA-N

Smiles

CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](S)CCN1C(=O)N(C)C(C)(C)C1=O)C(C)(C)C

InChI

InChI=1S/C23H41N5O5S/c1-13(2)12-14(17(29)26-16(19(31)24-8)22(3,4)5)25-18(30)15(34)10-11-28-20(32)23(6,7)27(9)21(28)33/h13-16,34H,10-12H2,1-9H3,(H,24,31)(H,25,30)(H,26,29)/t14-,15-,16+/m0/s1

Property Name	Value
Molecular Formula	C23H41N5O5S
Molecular Weight	499.68
AlogP	1.16
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	10.0
Polar Surface Area	127.92
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	34.0

Property Name

Value

Molecular Formula

C23H41N5O5S

Molecular Weight

499.68

AlogP

1.16

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

10.0

Polar Surface Area

127.92

Molecular species

NEUTRAL

Aromatic Rings

0.0

Heavy Atoms

34.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M10A subfamily	-	25-157	-	-	-

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M10A subfamily

25-157

Resources	Reference
ChEMBL	CHEMBL76222
DrugBank	DB06573
FDA SRS	1B47R6ZX4K
PubChem	9913881
SureChEMBL	SCHEMBL645121
ZINC	ZINC000003939175

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

REBIMASTAT

Structure

Physicochemical Descriptors

Pharmacology

Cross References