General Information of the Compound
Compound ID
CP0009479
Compound Name
ZD 6169
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Synonyms
(2S)-N-(4-benzoylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
147696-46-6
AC1L4306
BDBM86249
CHEMBL18861
H6UIO70F5E
LS-119034
LVEDGSIMCSQNNX-INIZCTEOSA-N
SCHEMBL4261046
UNII-H6UIO70F5E
ZD 6169
ZD-6169
ZD6169
ZINC1535218
Zeneca ZD 6169
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Structure
Formula
C17H14F3NO3
Molecular Weight
337.297
Canonical SMILES
C[C@](O)(C(=O)Nc1ccc(cc1)C(=O)c1ccccc1)C(F)(F)F
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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
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InChIKey
LVEDGSIMCSQNNX-INIZCTEOSA-N
CAS
147696-46-6
Physicochemical Property
logP
3.1694
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
66.4
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 177852
SID: 14777774
ChEMBL ID
CHEMBL18861
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: PT06097, ATP-sensitive inward rectifier potassium channel 11
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000309 NCTC clone 929 Mus musculus (Mouse)  1
1
EC50 = 436.52 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( ZD-6169 )
Drug Name ZD-6169
Company AstraZeneca plc
Indication
Urinary incontinence
Discontinued in Phase 2