Molecule

Compound E

AlkaPlorer ID: AK003176

Synonym: None

IUPAC Name: (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide

Structure

SMILES: C[C@@H](C(=O)N[C@@H]1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C)NC(=O)CC4=CC(=CC(=C4)F)F

InChI: InChI=1S/C27H24F2N4O3/c1-16(30-23(34)14-17-12-19(28)15-20(29)13-17)26(35)32-25-27(36)33(2)22-11-7-6-10-21(22)24(31-25)18-8-4-3-5-9-18/h3-13,15-16,25H,14H2,1-2H3,(H,30,34)(H,32,35)/t16-,25+/m0/s1

InChIKey: JNGZXGGOCLZBFB-IVCQMTBJSA-N

Reference

Induction of apoptosis in human leukemia cells through an intrinsic pathway by cathachunine, a unique alkaloid isolated from Catharanthus roseus

PubChem CID: 11306390

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Catharanthus	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Catharanthus	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 490.51000000000016

TPSA？: 90.87

MolLogP？: 2.9683

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Gamma-secretase	IC50	1.0	nM	10.1021/jm900188z
Homo sapiens	Gamma-secretase	IC50	2.7	nM	10.1021/jm900188z
Homo sapiens	Gamma-secretase	Inhibition	nan	%	10.1021/ml500044g