General Information of the Compound
Compound ID
CP0344949
Compound Name
(2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylmethyl)sulfonamido]-3-methylbutanamide
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Synonyms
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide
161314-70-1
1bm6
1eub
2w0d
3MP-HAV-MSB
80AXY59IT2
AC1L9JQY
BDBM50066658
BDBM8465
BMCL16311 Compound 1a
BSIZUMJRKYHEBR-QGZVFWFLSA-N
CGS
CGS 27023
CGS-27023
CGS-27023A
CGS-27023A free base
CHEMBL267178
CHEMBL514138
DB07556
GTPL8846
MMI-270B free base
MMI270
MMI270B free base
N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE
SCHEMBL3468445
UNII-80AXY59IT2
hydroxamate analogue 1
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Structure
Formula
C18H23N3O5S
Molecular Weight
393.465
Canonical SMILES
COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
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InChI
InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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InChIKey
BSIZUMJRKYHEBR-QGZVFWFLSA-N
Physicochemical Property
logP
1.8111
Rotatable Bonds
8
Heavy Atom Count
27
Polar Areas
108.83
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
27

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 446504
SID: 14830102
ChEMBL ID
CHEMBL267178
DrugBank ID
DB07556
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00849, Matrix metalloproteinase-9
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 10 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 4.8 nM
2 IC50 = 11 nM
3 IC50 = 40 nM
Clinical Information about the Compound
Drug 1 ( MMI270 )
Drug Name MMI270
Target(s)
Matrix metalloproteinase-9 (MMP-9)
Inhibitor
Matrix metalloproteinase-2 (MMP-2)
Inhibitor
Matrix metalloproteinase-8 (MMP-8)
Inhibitor
Matrix metalloproteinase-13 (MMP-13)
Inhibitor
Aggrecanase-1 (ADAMTS4)
Inhibitor
Matrix metalloproteinase-1 (MMP-1)
Inhibitor
Bacterial Lethal factor (Bact lef)
Inhibitor
Matrix metalloproteinase-7 (MMP-7)
Inhibitor
Matrix metalloproteinase-14 (MMP-14)
Inhibitor
Carbonic anhydrase IX (CA-IX)
Inhibitor
Carbonic anhydrase II (CA-II)
Inhibitor
Matrix metalloproteinase-3 (MMP-3)
Inhibitor