Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3613ZP748K

Structure

InChI Key LOFDNSDPZTVIIO-VPUSJEBWSA-N
Smile O=C(O)CN1C(=O)[C@@H](NC(=O)C2(C[C@@H](CCc3cccc4ccccc34)C(=O)O)CCCC2)CCc2ccccc21
InChI
InChI=1S/C33H36N2O6/c36-29(37)21-35-28-13-4-2-9-24(28)16-17-27(30(35)38)34-32(41)33(18-5-6-19-33)20-25(31(39)40)15-14-23-11-7-10-22-8-1-3-12-26(22)23/h1-4,7-13,25,27H,5-6,14-21H2,(H,34,41)(H,36,37)(H,39,40)/t25-,27+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C33H36N2O6
Molecular Weight 556.66
AlogP 4.97
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 10.0
Polar Surface Area 124.01
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 41.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Brain Injuries 2 D001930 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297432
DrugBank DB15356
FDA SRS 3613ZP748K
PubChem 11215055
SureChEMBL SCHEMBL1980130