Navigation

name Structure Reference Source Properties Activities Metabolism

(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl acetate

AlkaPlorer ID: AK030219

Synonym: None

IUPAC Name: [(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] acetate

Structure

SMILES: CC[C@@]1(OC(C)=O)C(=O)OCC2=C1C=C1C3=NC4=CC=CC=C4C=C3CN1C2=O

copy

InChI: InChI=1S/C22H18N2O5/c1-3-22(29-12(2)25)16-9-18-19-14(8-13-6-4-5-7-17(13)23-19)10-24(18)20(26)15(16)11-28-21(22)27/h4-9H,3,10-11H2,1-2H3/t22-/m0/s1

copy

InChIKey: ASVIEXKOXDCZDF-QFIPXVFZSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain
Nothapodytes nimmoniana Nothapodytes Icacinaceae Icacinales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 390.3950000000001

TPSA？: 87.49000000000001

MolLogP？: 2.6504000000000003

Number of H-Donors: 0

Number of H-Acceptors: 7

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens DNA topoisomerase I CC50 nan nM 10.1021/jm00123a038
Homo sapiens Homo sapiens T1/2 nan hr 10.1021/jm9600555
Mus musculus L1210 IC50 390.0 nM 10.1021/jm00123a038
Rattus norvegicus Rattus norvegicus T1/2 nan hr 10.1021/jm9600555
None ADMET T1/2 72.0 hr 10.1021/jm9600555
None ADMET T1/2 nan hr 10.1021/jm9600555

Metabolism Information