Details of the Drug

General Information of Drug (ID: DM8PBEJ)

Drug Name

4-Hydrazinocarbonyl-benzenesulfonamide

Synonyms

4-(hydrazinecarbonyl)benzenesulfonamide; 35264-29-0; 4-(hydrazinecarbonyl)benzene-1-sulfonamide; JIDAHYHCQJXNTD-UHFFFAOYSA-N; 4-(hydrazinylcarbonyl)benzenesulfonamide; 4- benzenesulfonamide; 4-HYDRAZINOCARBONYL-BENZENE-SULFONAMIDE; hydrazide 2; p-Sulfamylbenzoic acid hydrazide; AC1L7XIP; CHEMBL180323; SCHEMBL4616920; BDBM12136; CTK4H4135; DTXSID60312358; 4-Sulfamoylbenzoic acid hydrazide; MolPort-000-887-192; ZINC1556993; STK349231; SBB021016; 4376AB; NSC252930; AKOS000305291; MCULE-5832659214

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

215.23

Logarithm of the Partition Coefficient (xlogp)

-1.1

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C7H9N3O3S
IUPAC Name: 4-(hydrazinecarbonyl)benzenesulfonamide
Canonical SMILES: C1=CC(=CC=C1C(=O)NN)S(=O)(=O)N
InChI: InChI=1S/C7H9N3O3S/c8-10-7(11)5-1-3-6(4-2-5)14(9,12)13/h1-4H,8H2,(H,10,11)(H2,9,12,13)
InChIKey: JIDAHYHCQJXNTD-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 318174
CAS Number: 35264-29-0
TTD ID: D0Q0EK

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Carbonic anhydrase inhibitors: synthesis and inhibition of cytosolic/membrane-associated carbonic anhydrase isozymes I, II, and IX with sulfonamide... J Med Chem. 2005 Mar 24;48(6):2121-5.