MK-2748

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 7YM030A71C

Structure
InChI Key HMYVZDWJFQOHCD-XEZGQWAWSA-N
Smile C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)O[C@@H]1CCC[C@H]1CCCCCn1c(nc3cc(OC)ccc3c1=O)O2)C(=O)NS(=O)(=O)C1(C)CC1
InChI
InChI=1S/C42H56N6O10S/c1-4-27-23-42(27,38(52)46-59(54,55)41(2)18-19-41)45-35(49)32-22-29-24-48(32)37(51)34(26-12-7-8-13-26)44-40(53)58-33-15-10-14-25(33)11-6-5-9-20-47-36(50)30-17-16-28(56-3)21-31(30)43-39(47)57-29/h4,16-17,21,25-27,29,32-34H,1,5-15,18-20,22-24H2,2-3H3,(H,44,53)(H,45,49)(H,46,52)/t25-,27-,29-,32+,33-,34+,42-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C42H56N6O10S
Molecular Weight 837.01
AlogP 3.84
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 204.33
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 59.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hepatitis C 1 D006526 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1193902-95-2
ChEMBL CHEMBL4297303
DrugBank DB15371
FDA SRS 7YM030A71C
PubChem 45107289
CONTENTS