General Information of the Compound
Compound ID
CP0526754
Compound Name
GS-5806
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Synonyms
GS-5806
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Structure
Formula
C24H30ClN7O3S
Molecular Weight
532.07
Canonical SMILES
Cc1cn2nc(cc2nc1N1CC[C@H](N)C1)[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1NS(C)(=O)=O
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InChI
InChI=1S/C24H30ClN7O3S/c1-15-13-32-22(27-23(15)30-10-8-17(26)14-30)12-20(28-32)21-5-3-4-9-31(21)24(33)18-11-16(25)6-7-19(18)29-36(2,34)35/h6-7,11-13,17,21,29H,3-5,8-10,14,26H2,1-2H3/t17-,21-/m0/s1
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InChIKey
GOFXWTVKPWJNGD-UWJYYQICSA-N
CAS
1353625-73-6
Physicochemical Property
logP
2.96742
Rotatable Bonds
5
Heavy Atom Count
36
Polar Areas
125.93
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Complexity
36

"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: 58029842
ChEMBL ID
CHEMBL3410450
DrugBank ID
DB12165
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: PT00459, Fusion glycoprotein F0
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000668 HEp-2 Homo sapiens (Human)  1
1
EC50 = 0.1 nM
   TI
   LI
   LO
   TS
Protein ID: PT06676, Fusion glycoprotein F0
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000668 HEp-2 Homo sapiens (Human)  1
1
EC50 = 1193 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( GS-5806 )
Drug Name GS-5806
Company GILEAD
Indication
Respiratory syncytial virus infection
Phase 2
Target(s)
Respiratory syncytial virus protein F (RSV F)
Inhibitor