General Information of the Compound
Compound ID
CP0099897
Compound Name
(S)-4-((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)methyl)oxazolidin-2-one
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Synonyms
(4S)-4-({3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}methyl)-1,3-oxazolidin-2-one
(4S)-4-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
(S)-4-((3-(2-(Dimethylamino)ethyl)-1H-indol-5-yl)methyl)-2-oxazolidinone
(S)-4-((3-(2-(Dimethylamino)ethyl)indol-5-yl)methyl)-2-oxazolidinone
(S)-4-[3-(2-Dimethylamino-ethyl)-1H-indol-5-ylmethyl]-oxazolidin-2-one
(S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-2-oxazolidinone
4-((3-(2-(Dimethylamino)ethyl)-1H-indol-5-yl)methyl)-2-oxazolidinone
4-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methyl]oxazolidin-2-one
AscoTop
AscoTop (TN)
BW-311C90
Flezol
KS-5072
Zolmitriptan
Zolmitriptan RapidFilm
Zolmitriptan [USAN]
Zolmitriptane
Zolmitriptanum
Zomig
Zomig (TN)
Zomig Nasal Spray
Zomig ZMT
Zomig, Zomigon, AscoTopand, Zomigoro, Zolmitriptan
Zomig-ZMT
Zomigon
Zomigon (TN)
Zomigoro (TN)
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Structure
Formula
C16H21N3O2
Molecular Weight
287.363
Canonical SMILES
CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12
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InChI
InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1
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InChIKey
ULSDMUVEXKOYBU-ZDUSSCGKSA-N
CAS
139264-17-8
Physicochemical Property
logP
1.9229
Rotatable Bonds
5
Heavy Atom Count
21
Polar Areas
57.36
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 60857
SID: 12014671
ChEMBL ID
CHEMBL1185
DrugBank ID
DB00315
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: PT01202, 5-hydroxytryptamine receptor 1B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 6.166 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 4.2 nM
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 2.818 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 0.76 nM
2 Ki = 0.92 nM
3 Ki = 4 nM
Clinical Information about the Compound
Drug 1 ( Zolmitriptan )
Drug Name Zolmitriptan
Company AstraZeneca
Indication
Migraine
Approved
Target(s)
5-HT 1B receptor (HTR1B)
Modulator
5-HT 1D receptor (HTR1D)
Modulator