Details of the Drug

General Information of Drug (ID: DMVBL25)

Drug Name

ZD-6169

Synonyms

ZD-6169; ZD 6169; UNII-H6UIO70F5E; H6UIO70F5E; Zeneca ZD 6169; LVEDGSIMCSQNNX-INIZCTEOSA-N; ZD6169; 147696-46-6; CHEMBL18861; SCHEMBL4261046; BDBM86249; AC1L4306; ZINC1535218; LS-119034; (2S)-N-(4-benzoylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

Indication

Disease Entry	ICD 11	Status	REF
Urinary incontinence	MF50.2	Discontinued in Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

337.29

Logarithm of the Partition Coefficient (xlogp)

3.1

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C17H14F3NO3
IUPAC Name: (2S)-N-(4-benzoylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
Canonical SMILES: C[C@](C(=O)NC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)(C(F)(F)F)O
InChI: InChI=1S/C17H14F3NO3/c1-16(24,17(18,19)20)15(23)21-13-9-7-12(8-10-13)14(22)11-5-3-2-4-6-11/h2-10,24H,1H3,(H,21,23)/t16-/m0/s1
InChIKey: LVEDGSIMCSQNNX-INIZCTEOSA-N

Cross-matching ID

PubChem CID: 177852
CAS Number: 147696-46-6
TTD ID: D0X7HV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Potassium channel unspecific (KC)	TT1VOHK	NOUNIPROTAC	Opener	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800006442)
2	Effects of ZD6169 and ZD0947, 2 potassium adenosine triphosphate channel openers, on bladder function of spinalized rats. J Urol. 2002 Aug;168(2):837-42.