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name Structure Reference Source Properties Activities Metabolism

Neocryptolepine

AlkaPlorer ID: AK003412

Synonym: None

IUPAC Name: 5-methylindolo[2,3-b]quinoline

Structure

SMILES: CN1C2=NC3=CC=CC=C3C2=CC2=CC=CC=C21

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InChI: InChI=1S/C16H12N2/c1-18-15-9-5-2-6-11(15)10-13-12-7-3-4-8-14(12)17-16(13)18/h2-10H,1H3

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InChIKey: PZIIKMBOSNKNFZ-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Cryptolepis sanguinolenta Cryptolepis Apocynaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 232.286

TPSA？: 17.82

MolLogP？: 3.8313000000000015

Number of H-Donors: 0

Number of H-Acceptors: 2

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Candida albicans Candida albicans MIC 120000.0 nM 10.1021/jm00047a008
Homo sapiens 786-0 GI50 3837.07 nM None
Homo sapiens A498 GI50 5116.82 nM None
Homo sapiens A549 GI50 3380.65 nM None
Homo sapiens ACHN GI50 2060.63 nM None
Homo sapiens BT-549 GI50 3191.54 nM None
Homo sapiens CAKI-1 GI50 2600.16 nM None
Homo sapiens CCRF-CEM GI50 3147.75 nM None
Homo sapiens COLO 205 GI50 2930.89 nM None
Homo sapiens DNA IC50 93000.0 nM 10.1016/j.ejmech.2021.113938
Homo sapiens DU-145 GI50 6823.39 nM None
Homo sapiens EKVX GI50 2275.1 nM None
Homo sapiens HCC 2998 GI50 2477.42 nM None
Homo sapiens HCT-116 GI50 1798.87 nM None
Homo sapiens HCT-15 GI50 1140.25 nM None
Homo sapiens HL-60 GI50 2382.32 nM None
Homo sapiens HOP-92 GI50 3061.96 nM None
Homo sapiens Hs-578T GI50 4549.88 nM None
Homo sapiens HT-29 GI50 2506.11 nM None
Homo sapiens IGROV-1 GI50 2703.96 nM None
Homo sapiens K562 GI50 3411.93 nM None
Homo sapiens KB ID50 0.006 uM ml-1 10.1021/jm00047a008
Homo sapiens KM12 GI50 2182.73 nM None
Homo sapiens LOX IMVI GI50 3265.88 nM None
Homo sapiens M14 GI50 4285.49 nM None
Homo sapiens Malme-3M GI50 2857.59 nM None
Homo sapiens MCF7 GI50 2741.57 nM None
Homo sapiens MDA-MB-231 GI50 5584.7 nM None
Homo sapiens MDA-MB-435 GI50 4197.59 nM None
Homo sapiens MDA-N GI50 4265.8 nM None
Homo sapiens MOLT-4 GI50 1377.21 nM None
Homo sapiens MRC5 IC50 11000.0 nM 10.1016/j.ejmech.2021.113938
Homo sapiens MRC5 IC50 11000.0 nM 10.1021/jm011102i
Homo sapiens NCI/ADR-RES GI50 2766.94 nM None
Homo sapiens NCI-H226 GI50 3459.39 nM None
Homo sapiens NCI-H23 GI50 3349.65 nM None
Homo sapiens NCI-H322M GI50 2233.57 nM None
Homo sapiens NCI-H460 GI50 2382.32 nM None
Homo sapiens NCI-H522 GI50 2070.14 nM None
Homo sapiens OVCAR-3 GI50 5176.07 nM None
Homo sapiens OVCAR-4 GI50 3801.89 nM None
Homo sapiens OVCAR-5 GI50 4111.5 nM None
Homo sapiens OVCAR-8 GI50 2483.13 nM None
Homo sapiens PC-3 GI50 3303.7 nM None
Homo sapiens RPMI-8226 GI50 2449.06 nM None
Homo sapiens RXF 393 GI50 3451.44 nM None
Homo sapiens SF-268 GI50 3944.57 nM None
Homo sapiens SF-295 GI50 4591.98 nM None
Homo sapiens SF-539 GI50 3047.89 nM None
Homo sapiens SK-MEL-2 GI50 3944.57 nM None
Homo sapiens SK-MEL-28 GI50 4875.28 nM None
Homo sapiens SK-MEL-5 GI50 3303.7 nM None
Homo sapiens SK-OV-3 GI50 6471.43 nM None
Homo sapiens SN12C GI50 3133.29 nM None
Homo sapiens SNB-19 GI50 5942.92 nM None
Homo sapiens SNB-75 GI50 3221.07 nM None
Homo sapiens SR GI50 2197.86 nM None
Homo sapiens SW-620 GI50 3681.29 nM None
Homo sapiens T47D GI50 4808.39 nM None
Homo sapiens TK-10 GI50 7638.36 nM None
Homo sapiens U-251 GI50 4178.3 nM None
Homo sapiens UACC-257 GI50 3908.41 nM None
Homo sapiens UACC-62 GI50 3054.92 nM None
Homo sapiens UO-31 GI50 2600.16 nM None
Leishmania donovani Leishmania donovani EC50 49500.0 nM 10.1021/acs.jnatprod.8b00159
Leishmania donovani Leishmania donovani IC50 49500.0 nM 10.1016/j.ejmech.2021.113938
Micrococcus luteus Micrococcus luteus MIC 250000.0 nM 10.1021/jm00047a008
Mus musculus Ehrlich IC50 5.4 10^-4microM 10.1016/j.ejmech.2021.113938
Mycolicibacterium fortuitum Mycolicibacterium fortuitum MIC 31.0 ug.mL-1 10.1016/j.ejmech.2017.06.005
Mycolicibacterium fortuitum Mycolicibacterium fortuitum MIC 31.0 ug.mL-1 10.1016/j.ejmech.2022.114173
Plasmodium berghei Plasmodium berghei Activity nan None 10.1021/np9605246
Plasmodium falciparum Hemozoin IC50 5970.0 nM 10.1016/j.ejmech.2021.113938
Plasmodium falciparum Histidine-rich protein IC50 5.97 milliequivalent 10.1021/jm801490z
Plasmodium falciparum Histidine-rich protein Inhibition nan % 10.1021/jm011102i
Plasmodium falciparum Plasmodium falciparum IC50 0.027 ug.mL-1 10.1016/j.ejmech.2017.04.003
Plasmodium falciparum Plasmodium falciparum IC50 0.035 ug.mL-1 10.1021/np9605246
Plasmodium falciparum Plasmodium falciparum IC50 0.051 ug.mL-1 10.1021/np9605246
Plasmodium falciparum Plasmodium falciparum IC50 0.065 ug.mL-1 10.1021/np9605246
Plasmodium falciparum Plasmodium falciparum IC50 1580.0 nM 10.1016/j.ejmech.2013.03.072
Plasmodium falciparum Plasmodium falciparum IC50 1580.0 nM 10.1016/j.ejmech.2021.113938
Plasmodium falciparum Plasmodium falciparum IC50 1580.0 nM 10.1021/jm300887b
Plasmodium falciparum Plasmodium falciparum IC50 1696.0 nM 10.1016/j.ejmech.2013.03.072
Plasmodium falciparum Plasmodium falciparum IC50 1696.0 nM 10.1016/j.ejmech.2021.113938
Plasmodium falciparum Plasmodium falciparum IC50 1696.0 nM 10.1021/jm300887b
Plasmodium falciparum Plasmodium falciparum IC50 14000.0 nM 10.1016/j.bmc.2010.01.068
Plasmodium falciparum Plasmodium falciparum IC50 14000.0 nM 10.1021/jm011102i
Plasmodium falciparum Plasmodium falciparum IC50 27000.0 nM 10.1016/j.ejmech.2021.113938
Plasmodium falciparum Plasmodium falciparum IC50 27000.0 nM 10.1021/jm801490z
Plasmodium falciparum Plasmodium falciparum IC50 27300.0 nM 10.1021/jm011102i
Plasmodium falciparum Plasmodium falciparum Ratio IC50 1.07 None 10.1016/j.ejmech.2013.03.072
Plasmodium falciparum Plasmodium falciparum Ratio IC50 1.1 None 10.1021/jm300887b
Plasmodium yoelii Plasmodium yoelii Activity nan None 10.1021/np9605246
Rattus norvegicus L6 IC50 3190.0 nM 10.1016/j.ejmech.2021.113938
Rattus norvegicus L6 IC50 3194.0 nM 10.1016/j.ejmech.2013.03.072
Rattus norvegicus L6 IC50 3194.0 nM 10.1021/jm300887b
Schistosoma mansoni Schistosoma mansoni mortality 5.0 % 10.1007/s00044-011-9934-4
Staphylococcus aureus Staphylococcus aureus MIC 250000.0 nM 10.1021/jm00047a008
Trichophyton benhamiae Trichophyton benhamiae MIC 60000.0 nM 10.1021/jm00047a008
Trypanosoma brucei Trypanosoma brucei IC50 2230.0 nM 10.1016/j.ejmech.2021.113938
Trypanosoma brucei Trypanosoma brucei IC50 4000.0 nM 10.1016/j.bmc.2010.01.068
Trypanosoma brucei Trypanosoma brucei IC50 4000.0 nM 10.1021/jm011102i
Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense EC50 2200.0 nM 10.1021/acs.jnatprod.8b00159
Trypanosoma cruzi Trypanosoma cruzi EC50 2000.0 nM 10.1021/acs.jnatprod.8b00159
Trypanosoma cruzi Trypanosoma cruzi IC50 4000.0 nM 10.1021/jm011102i
None ADMET IC50 11000.0 nM 10.1021/jm801490z
None ADMET Ratio IC50 0.4 None 10.1016/j.ejmech.2021.113938
None ADMET Ratio IC50 1.9 None 10.1016/j.ejmech.2021.113938
None ADMET Ratio IC50 2.0 None 10.1016/j.ejmech.2021.113938
None No relevant target IC50 16.0 10^-5 uM 10.1016/j.ejmech.2021.113938
None No relevant target pKa 7.24 None 10.1021/jm00047a008
None Nucleic Acid Delta Tm 5.2 degrees C 10.1021/jm00047a008
None Nucleic Acid IC50 92800.0 nM 10.1021/jm011102i
None Nucleic Acid IC50 93000.0 nM 10.1021/jm801490z
None Nucleic Acid Inhibition nan % 10.1016/j.bmc.2009.08.057
None Unchecked Inhibition nan % 10.1016/j.bmc.2009.08.057
None Unchecked Ratio IC50 0.4 None 10.1021/jm801490z
None Unchecked Ratio IC50 1.88 None 10.1016/j.ejmech.2013.03.072
None Unchecked Ratio IC50 1.9 None 10.1021/jm300887b
None Unchecked Ratio IC50 2.0 None 10.1016/j.ejmech.2013.03.072
None Unchecked Ratio IC50 2.0 None 10.1021/jm300887b

Metabolism Information