Details of the Drug

General Information of Drug (ID: DMOGWIK)

Drug Name

2-nonylamido-5-sulfonamidoindane

Synonyms

CHEMBL208532; 2-nonylamido-5-sulfonamidoindane; N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)decanamide; Indanesulfonamide Derivative 12g

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

366.5

Logarithm of the Partition Coefficient (xlogp)

4.2

Rotatable Bond Count (rotbonds)

10

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C19H30N2O3S
IUPAC Name: N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)decanamide
Canonical SMILES: CCCCCCCCCC(=O)NC1CC2=C(C1)C=C(C=C2)S(=O)(=O)N
InChI: InChI=1S/C19H30N2O3S/c1-2-3-4-5-6-7-8-9-19(22)21-17-12-15-10-11-18(25(20,23)24)14-16(15)13-17/h10-11,14,17H,2-9,12-13H2,1H3,(H,21,22)(H2,20,23,24)
InChIKey: CWOKTKYGRFERNA-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carbonic anhydrase I (CA-I)	TTHQPL7	CAH1_HUMAN	Inhibitor	[1]
Carbonic anhydrase II (CA-II)	TTANPDJ	CAH2_HUMAN	Inhibitor	[1]
Carbonic anhydrase IX (CA-IX)	TT2LVK8	CAH9_HUMAN	Inhibitor	[1]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Carbonic anhydrase I (CA-I)	DTT	CA1	5.23E-14	-0.11	-0.41
Carbonic anhydrase II (CA-II)	DTT	CA2	7.95E-08	0.52	0.33
Carbonic anhydrase IX (CA-IX)	DTT	CA9	1.12E-10	-0.03	-0.09

Molecular Expression Atlas (MEA)

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Indanesulfonamides as carbonic anhydrase inhibitors. Toward structure-based design of selective inhibitors of the tumor-associated isozyme CA IX. J Med Chem. 2006 May 4;49(9):2743-9.