Navigation

name Structure Reference Source Properties Activities Metabolism

7-methoxy-3,13,21-triazapentacyclo[11.8.0.0²,¹?.0?,?.0¹?,²?]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one

AlkaPlorer ID: AK052907

Synonym: "10-Methoxy-8,13-dihydro-7H-indolo2',3':3,4pyrido2,1-bquinazolin-5-one", 'MLS000076384', 'SMR000013006'

IUPAC Name: 7-methoxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one

Structure

SMILES: COC1=CC=C2NC3=C(CCN4C3=NC3=CC=CC=C3C4=O)C2=C1

copy

InChI: InChI=1S/C19H15N3O2/c1-24-11-6-7-16-14(10-11)12-8-9-22-18(17(12)20-16)21-15-5-3-2-4-13(15)19(22)23/h2-7,10,20H,8-9H2,1H3

copy

InChIKey: JNHSRGXMKPJTEV-UHFFFAOYSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 317.34800000000007

TPSA？: 59.91

MolLogP？: 3.109500000000001

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Equus caballus Ferritin light chain Potency 3162.3 nM None
Escherichia coli K-12 Beta-lactamase AmpC Potency 70794.6 nM None
Homo sapiens 15-hydroxyprostaglandin dehydrogenase [NAD+] Potency 14125.4 nM None
Homo sapiens 786-0 GI50 25000.0 nM 10.1016/0960-894X(95)00046-V
Homo sapiens 786-0 GI50 25003.45 nM None
Homo sapiens A549 GI50 25000.0 nM 10.1016/0960-894X(95)00046-V
Homo sapiens A549 GI50 25003.45 nM None
Homo sapiens ACHN GI50 25003.45 nM None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 25118.9 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 410.9 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 446.7 nM None
Homo sapiens Breast cancer type 1 susceptibility protein Potency 631.0 nM None
Homo sapiens CCRF-CEM GI50 25000.0 nM 10.1016/0960-894X(95)00046-V
Homo sapiens CCRF-CEM GI50 25003.45 nM None
Homo sapiens Cellular tumor antigen p53 Potency 10000.0 nM None
Homo sapiens Cellular tumor antigen p53 Potency 56234.1 nM None
Homo sapiens COLO 205 GI50 25003.45 nM None
Homo sapiens Cytochrome P450 1A1 IC50 1780.0 nM 10.1016/j.ejmech.2017.04.042
Homo sapiens Cytochrome P450 1A1 IC50 1780.0 nM 10.1016/s0960-894x(03)00469-4
Homo sapiens Cytochrome P450 1A2 IC50 2920.0 nM 10.1016/s0960-894x(03)00469-4
Homo sapiens Cytochrome P450 1B1 IC50 84.0 nM 10.1016/j.ejmech.2017.04.042
Homo sapiens Cytochrome P450 1B1 IC50 84.0 nM 10.1016/s0960-894x(03)00469-4
Homo sapiens DNA polymerase beta Potency 79432.8 nM None
Homo sapiens EKVX GI50 25003.45 nM None
Homo sapiens Estrogen receptor alpha IC50 17183.79 nM None
Homo sapiens Geminin Potency 29092.9 nM None
Homo sapiens HCC 2998 GI50 25003.45 nM None
Homo sapiens HCT-116 GI50 25003.45 nM None
Homo sapiens HCT-15 GI50 25003.45 nM None
Homo sapiens Histone-lysine N-methyltransferase MLL Potency 794.3 nM None
Homo sapiens HL-60 GI50 25003.45 nM None
Homo sapiens HOP-62 GI50 25003.45 nM None
Homo sapiens Hs-578T GI50 25000.0 nM 10.1016/0960-894X(95)00046-V
Homo sapiens Hs-578T GI50 25003.45 nM None
Homo sapiens IGROV-1 GI50 25003.45 nM None
Homo sapiens K562 GI50 25003.45 nM None
Homo sapiens KM12 GI50 25003.45 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 3548.1 nM None
Homo sapiens M14 GI50 25003.45 nM None
Homo sapiens MCF7 GI50 25003.45 nM None
Homo sapiens MDA-MB-231 GI50 25003.45 nM None
Homo sapiens MDA-MB-435 GI50 25003.45 nM None
Homo sapiens MDA-N GI50 25003.45 nM None
Homo sapiens microRNA 21 Potency 73.6 nM None
Homo sapiens Microtubule-associated protein tau Potency 1778.3 nM None
Homo sapiens MOLT-4 GI50 25003.45 nM None
Homo sapiens NCI/ADR-RES GI50 25003.45 nM None
Homo sapiens NCI-H460 GI50 25000.0 nM 10.1016/0960-894X(95)00046-V
Homo sapiens NCI-H460 GI50 25003.45 nM None
Homo sapiens NCI-H522 GI50 25003.45 nM None
Homo sapiens Niemann-Pick C1 protein Potency 199.5 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 1835.6 nM None
Homo sapiens Nuclear factor NF-kappa-B complex EC50 185.0 nM None
Homo sapiens OVCAR-4 GI50 25000.0 nM 10.1016/0960-894X(95)00046-V
Homo sapiens OVCAR-4 GI50 25003.45 nM None
Homo sapiens OVCAR-5 GI50 25003.45 nM None
Homo sapiens OVCAR-8 GI50 25003.45 nM None
Homo sapiens PC-3 GI50 25003.45 nM None
Homo sapiens Ras-related protein Rab-9A Potency 251.2 nM None
Homo sapiens RPMI-8226 GI50 25003.45 nM None
Homo sapiens SF-268 GI50 25003.45 nM None
Homo sapiens SF-295 GI50 25003.45 nM None
Homo sapiens SF-539 GI50 25003.45 nM None
Homo sapiens Signal transducer and activator of transcription 1-alpha/beta EC50 2.83 nM None
Homo sapiens Signal transducer and activator of transcription 1-alpha/beta EC50 76.0 nM None
Homo sapiens Signal transducer and activator of transcription 3 EC50 18563.0 nM None
Homo sapiens Signal transducer and activator of transcription 3 EC50 55700.0 nM None
Homo sapiens SK-MEL-28 GI50 25003.45 nM None
Homo sapiens SK-MEL-5 GI50 25003.45 nM None
Homo sapiens SK-OV-3 GI50 25003.45 nM None
Homo sapiens SN12C GI50 25003.45 nM None
Homo sapiens SNB-19 GI50 25003.45 nM None
Homo sapiens SNB-75 GI50 25003.45 nM None
Homo sapiens Sphingomyelin phosphodiesterase Potency 3981.1 nM None
Homo sapiens SR GI50 25003.45 nM None
Homo sapiens Survival motor neuron protein Potency 1584.9 nM None
Homo sapiens SW-620 GI50 25003.45 nM None
Homo sapiens T47D GI50 25003.45 nM None
Homo sapiens TK-10 GI50 25003.45 nM None
Homo sapiens U-251 GI50 25003.45 nM None
Homo sapiens UACC-257 GI50 25003.45 nM None
Homo sapiens UO-31 GI50 25003.45 nM None
Photinus pyralis Luciferin 4-monooxygenase Potency 477.5 nM None
Photinus pyralis Luciferin 4-monooxygenase Potency 631.0 nM None
Plasmodium falciparum Plasmodium falciparum Potency 827.5 nM None
Plasmodium falciparum Plasmodium falciparum Potency 18526.0 nM None
Rattus norvegicus Aorta EC50 55100.0 nM 10.1016/j.bmc.2009.02.015
Rattus norvegicus Aorta Emax 42.6 % 10.1016/j.bmc.2009.02.015
None ADMET IC50 0.03 nM 10.1016/s0960-894x(03)00469-4
None ADMET IC50 0.6 nM 10.1016/s0960-894x(03)00469-4
None Unchecked IC50 55690.0 nM None
None Unchecked Potency 631.0 nM None
None Unchecked Potency 730.8 nM None
None Unchecked Ratio IC50 21.0 None 10.1016/j.ejmech.2017.04.042
None Unchecked Ratio IC50 34.8 None 10.1016/j.ejmech.2017.04.042

Metabolism Information