Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN

Structure

InChI Key JOIXGLLMSDPZDN-UHFFFAOYSA-N
Smile O=C(O)CSC(CCCc1ccccc1)c1ccc(OCc2ccc3ccccc3n2)cc1
InChI
InChI=1S/C28H27NO3S/c30-28(31)20-33-27(12-6-9-21-7-2-1-3-8-21)23-14-17-25(18-15-23)32-19-24-16-13-22-10-4-5-11-26(22)29-24/h1-5,7-8,10-11,13-18,27H,6,9,12,19-20H2,(H,30,31)

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H27NO3S
Molecular Weight 457.6
AlogP 6.7
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 11.0
Polar Surface Area 59.42
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Epidermal growth factor receptor erbB1 inhibitor Other

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL422872
SureChEMBL SCHEMBL9460146