Details of the Drug

General Information of Drug (ID: DMD4OK0)

Drug Name

K-134

Synonyms

SULBACTAM; 68373-14-8; sulbactam acid; Sulbactamum; Betamaze; Penicillanic Acid Sulfone; (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide; penicillanic acid 1,1-dioxide; UNII-S4TF6I2330; CP 45899; CHEMBL403; CHEBI:9321; S4TF6I2330; Sulbactam;Penicillanic acid sulfone; (2S,5R)-3,3-Dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid 4,4-dioxide; Sulbactam [INN:BAN]; CP-45,899; Sulbactamum [INN-Latin]; DSSTox_CID_3605; DSSTox_RID_77104

Indication

Disease Entry	ICD 11	Status	REF
Arteriosclerosis	BD40	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

399.5

Logarithm of the Partition Coefficient (xlogp)

2.2

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C22H29N3O4
IUPAC Name: 1-cyclopropyl-1-[(1R,2R)-2-hydroxycyclohexyl]-3-[3-[(2-oxo-1H-quinolin-6-yl)oxy]propyl]urea
Canonical SMILES: C1CC[C@H]([C@@H](C1)N(C2CC2)C(=O)NCCCOC3=CC4=C(C=C3)NC(=O)C=C4)O
InChI: InChI=1S/C22H29N3O4/c26-20-5-2-1-4-19(20)25(16-7-8-16)22(28)23-12-3-13-29-17-9-10-18-15(14-17)6-11-21(27)24-18/h6,9-11,14,16,19-20,26H,1-5,7-8,12-13H2,(H,23,28)(H,24,27)/t19-,20-/m1/s1
InChIKey: ULGNGSQNNMKROG-WOJBJXKFSA-N

Cross-matching ID

PubChem CID: 9908900
CAS Number: 189362-06-9
DrugBank ID: DB12685
TTD ID: D0S4SX

Combinatorial Drugs (CBD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Phosphodiesterase 3 (PDE3)	TTZCG4L	NOUNIPROTAC	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	ClinicalTrials.gov (NCT00783081) Safety and Efficacy of K-134 for the Treatment of Intermittent Claudication. U.S. National Institutes of Health.
2	A phase II dose-ranging study of the phosphodiesterase inhibitor K-134 in patients with peripheral artery disease and claudication. J Vasc Surg. 2012 Feb;55(2):381-389.e1.