PC-786

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Synonyms
Status
Molecule Category Free-form
UNII MC0MD9J0F4

Structure

InChI Key VTCJNYICQADBJD-UHFFFAOYSA-N
Smiles Cc1cnc(N2CC3(CCOCC3)C2)c(C(=O)Nc2ccc(C(=O)N3CCc4cc(C(=O)Nc5c(C)cccc5F)sc4-c4ccccc43)cc2)c1
InChI
InChI=1S/C41H38FN5O4S/c1-25-20-31(37(43-22-25)46-23-41(24-46)15-18-51-19-16-41)38(48)44-29-12-10-27(11-13-29)40(50)47-17-14-28-21-34(52-36(28)30-7-3-4-9-33(30)47)39(49)45-35-26(2)6-5-8-32(35)42/h3-13,20-22H,14-19,23-24H2,1-2H3,(H,44,48)(H,45,49)

Physicochemical Descriptors

Property Name Value
Molecular Formula C41H38FN5O4S
Molecular Weight 715.85
AlogP 7.89
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 103.87
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 52.0

Pharmacology

Mechanism of Action Action Reference
RNA-directed RNA polymerase L inhibitor INHIBITOR PubMed PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Human respiratory syncytial virus
0.5 - - - -
Human respiratory syncytial virus B
27.3 - - - -
Respiratory syncytial virus
- 0.32-7.2 - - -
Respiratory syncytial virus type A
0.46-0.46 - - - -
Respiratory syncytial virus type B
20.2-20.2 - - - -

Cross References

Resources Reference
ChEMBL CHEMBL4291143
FDA SRS MC0MD9J0F4
PubChem 121276461
SureChEMBL SCHEMBL17678723
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