General Information of the Compound
Compound ID
CP0013593
Compound Name
1-(3-Hydroxy-propyl)-5-((R)-2-{2-[2-(2,2,2-trifluoro-ethoxy)-phenoxy]-ethylamino}-propyl)-2,3-dihydro-1H-indole-7-carboxylic acid amide
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Synonyms
(R)-1-(3-hydroxypropyl)-5-(2-((2-(2-(2,2,2-trifluoroethoxy)phenoxy)ethyl)amino)propyl)indoline-7-carboxamide
1-(3-hydroxypropyl)-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindole-7-carboxamide
160970-54-7
160970-64-9
CHEMBL24778
CUZ39LUY82
KAD 3213
KAD-3213
KMD 3213
KMD-3213
Q-102517
Rapaflo
Rapflo
SILODOSIN
Silodosin
Silodosin-d6
Silodyx
UNII-CUZ39LUY82
Urief
Urorec
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Structure
Formula
C25H32F3N3O4
Molecular Weight
495.542
Canonical SMILES
C[C@H](Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccccc1OCC(F)(F)F
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InChI
InChI=1S/C25H32F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-6,14-15,17,30,32H,4,7-13,16H2,1H3,(H2,29,33)/t17-/m1/s1
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InChIKey
PNCPYILNMDWPEY-QGZVFWFLSA-N
CAS
160970-54-7
Physicochemical Property
logP
3.0711
Rotatable Bonds
13
Heavy Atom Count
35
Polar Areas
97.05
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
35

"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: 5312125
SID: 14810706
ChEMBL ID
CHEMBL24778
DrugBank ID
DB06207
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: PT01089, Alpha-1A adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 1.8 nM
   TI
   LI
   LO
   TS
2
IC50 = 1.9 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 0.03981 nM
Protein ID: PT01007, Alpha-1B adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 116 nM
   TI
   LI
   LO
   TS
2
IC50 = 541.4 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 19.95 nM
Protein ID: PT01004, Alpha-1D adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 6.3 nM
   TI
   LI
   LO
   TS
2
IC50 = 27.3 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 1.995 nM
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 25118.86 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 8200 nM
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 63095.73 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( SILODOSIN )
Drug Name SILODOSIN
Indication
Benign prostatic hyperplasia
Approved
Target(s)
Adrenergic receptor alpha-1A (ADRA1A)
Inhibitor