VALATEGRAST

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 06DM4KX7JG

Structure
InChI Key VZVNFRFMDNFPOM-VWLOTQADSA-N
Smile CCN(CC)CCOC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)c1c(C)cccc1Cl
InChI
InChI=1S/C30H32Cl3N3O4/c1-4-36(5-2)16-17-40-30(39)25(35-28(37)26-19(3)8-6-9-22(26)31)18-20-12-14-21(15-13-20)34-29(38)27-23(32)10-7-11-24(27)33/h6-15,25H,4-5,16-18H2,1-3H3,(H,34,38)(H,35,37)/t25-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H32Cl3N3O4
Molecular Weight 604.96
AlogP 6.43
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 12.0
Polar Surface Area 87.74
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 40.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Asthma 2 D001249 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2107792
FDA SRS 06DM4KX7JG
PubChem 11563636
SureChEMBL SCHEMBL480224
ZINC ZINC000072190226
CONTENTS