Structure

InChI Key QITOONQVTOGMOJ-IUJXYRIYSA-N
Smile C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)c(F)c3)nc3[nH]ccc23)c1.O.O.O=C(O)/C=C\C(=O)O
InChI
InChI=1S/C26H26FN7O2.C4H4O4.2H2O/c1-3-23(35)29-17-5-4-6-19(15-17)36-25-20-9-10-28-24(20)31-26(32-25)30-18-7-8-22(21(27)16-18)34-13-11-33(2)12-14-34;5-3(6)1-2-4(7)8;;/h3-10,15-16H,1,11-14H2,2H3,(H,29,35)(H2,28,30,31,32);1-2H,(H,5,6)(H,7,8);2*1H2/b;2-1-;;

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H34FN7O8
Molecular Weight 639.64
AlogP 4.51
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 98.41
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 36.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Non-Small-Cell Lung 3 D002289 ClinicalTrials
Lymphoma, Follicular 1 D008224 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4297866
FDA SRS Y50131AMFJ
PubChem 137321960