TILPISERTIB

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

Structure
InChI Key VFGSKBLZRDRHOI-ZAGPDIDGSA-N
Smile Cn1ccc2c([C@H](Nc3cc(Cl)c4ncc(C#N)c(NCC(C)(C)C)c4c3)c3cn(C45CC(C4)C5)nn3)cccc2c1=O
InChI
InChI=1S/C33H33ClN8O/c1-32(2,3)18-37-28-20(15-35)16-36-29-25(28)10-21(11-26(29)34)38-30(27-17-42(40-39-27)33-12-19(13-33)14-33)23-6-5-7-24-22(23)8-9-41(4)31(24)43/h5-11,16-17,19,30,38H,12-14,18H2,1-4H3,(H,36,37)/t19?,30-,33?/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C33H33ClN8O
Molecular Weight 593.13
AlogP 6.37
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 113.45
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 43.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Colitis, Ulcerative 2 D003093 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4802154
CONTENTS