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pyrrolidine-1-carbodithioic acid

AlkaPlorer ID: AK070953

Synonym: None

IUPAC Name: pyrrolidine-1-carbodithioic acid

Structure

SMILES: S=C(S)N1CCCC1

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InChI: InChI=1S/C5H9NS2/c7-5(8)6-3-1-2-4-6/h1-4H2,(H,7,8)

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InChIKey: VSWDORGPIHIGNW-UHFFFAOYSA-N

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Reference

PubChem CID: 65351

CAS: 25769-03-3

NPASS: NPC478471

COCONUT: CNP0337104

Properties Information

Molecule Weight: 147.268

TPSA？: 3.24

MolLogP？: 1.2969

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 5623.4 nM None
Escherichia coli Escherichia coli MIC 64.0 ug.mL-1 10.1128/aac.00753-07
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Potency 15811.4 nM None
Homo sapiens 15-hydroxyprostaglandin dehydrogenase [NAD+] Potency 3981.1 nM None
Homo sapiens ACHN GI50 230.0 nM 10.1016/j.bmcl.2015.04.050
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 354.8 nM None
Homo sapiens Amyloid-beta A4 protein Potency 29092.9 nM None
Homo sapiens Arachidonate 12-lipoxygenase Potency 7079.5 nM None
Homo sapiens Arachidonate 12-lipoxygenase Potency 25118.9 nM None
Homo sapiens Arachidonate 15-lipoxygenase Potency 1584.9 nM None
Homo sapiens Arachidonate 15-lipoxygenase, type II Potency 25118.9 nM None
Homo sapiens Arachidonate 15-lipoxygenase, type II Potency 31622.8 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 9196.2 nM None
Homo sapiens Cellular tumor antigen p53 Potency 31622.8 nM None
Homo sapiens Chromobox protein homolog 1 Potency 44668.4 nM None
Homo sapiens Cytochrome P450 1A2 AC50 12589.25 nM None
Homo sapiens Cytochrome P450 1A2 AC50 31622.78 nM None
Homo sapiens Cytochrome P450 2C19 AC50 3981.07 nM None
Homo sapiens Cytochrome P450 2C19 AC50 25118.86 nM None
Homo sapiens Cytochrome P450 2C19 Potency 3981.1 nM None
Homo sapiens Cytochrome P450 2C19 Potency 25118.9 nM None
Homo sapiens Cytochrome P450 2C9 AC50 1995.26 nM None
Homo sapiens Cytochrome P450 2C9 AC50 19952.62 nM None
Homo sapiens Cytochrome P450 2C9 Potency 1995.3 nM None
Homo sapiens Cytochrome P450 2C9 Potency 19952.6 nM None
Homo sapiens Cytochrome P450 2D6 AC50 7943.28 nM None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 Potency 7943.3 nM None
Homo sapiens Cytochrome P450 3A4 AC50 31622.78 nM None
Homo sapiens Cytochrome P450 3A4 Potency 31622.8 nM None
Homo sapiens DNA dC->dU-editing enzyme APOBEC-3G Potency 133.4 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 251.2 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 1258.9 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 25118.9 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 39810.7 nM None
Homo sapiens HEK293 Potency 5802.4 nM None
Homo sapiens Histone deacetylase 6 Inhibition -45.34 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition -8.12 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 707.9 nM None
Homo sapiens Hypoxia-inducible factor 1 alpha Potency 19952.6 nM None
Homo sapiens Jurkat IC50 5120.0 nM 10.1016/j.bmcl.2022.129102
Homo sapiens Lysine-specific demethylase 4D-like Potency 39810.7 nM None
Homo sapiens MAP kinase ERK2 Potency 10000.0 nM None
Homo sapiens MDA-MB-231 Activity nan None 10.1016/j.ejmech.2012.07.041
Homo sapiens MDA-MB-231 GI50 160.0 nM 10.1016/j.bmcl.2015.04.050
Homo sapiens Microtubule-associated protein tau Potency 4466.8 nM None
Homo sapiens Microtubule-associated protein tau Potency 5011.9 nM None
Homo sapiens NCI-H23 GI50 100.0 nM 10.1016/j.bmcl.2015.04.050
Homo sapiens Nuclear factor NF-kappa-B complex IC50 34500.0 nM 10.1016/j.bmcl.2015.04.050
Homo sapiens Nuclear factor NF-kappa-B complex IC50 37200.0 nM 10.1016/j.bmcl.2014.04.053
Homo sapiens Nuclear factor NF-kappa-B p105 subunit Potency 3162.3 nM None
Homo sapiens Nuclear factor NF-kappa-B p65 subunit Inhibition nan % 10.1039/C2MD20216F
Homo sapiens Regulator of G-protein signaling 4 Potency 5323.3 nM None
Homo sapiens Runt-related transcription factor 1/Core-binding factor subunit beta Potency 12589.3 nM None
Homo sapiens Serine/threonine-protein kinase mTOR Potency 2612.2 nM None
Homo sapiens Serine/threonine-protein kinase mTOR Potency 2930.9 nM None
Homo sapiens Serine/threonine-protein kinase mTOR Potency 4645.1 nM None
Homo sapiens Serine/threonine-protein kinase mTOR Potency 6561.4 nM None
Homo sapiens THP-1 IC50 6110.0 nM 10.1016/j.bmcl.2022.129102
Homo sapiens Thrombopoietin Potency 3981.1 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 53.1 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 59.6 nM None
Homo sapiens U-937 IC50 8.3 ug.mL-1 10.1021/np000604g
Homo sapiens U-937 IC50 8.3 ug.mL-1 10.1021/np010425e
Homo sapiens Vitamin D receptor Potency 19952.6 nM None
Mus musculus BV-2 Activity 55.9 % 10.1016/j.ejmech.2022.114322
Mus musculus BV-2 Activity 64.0 % 10.1016/j.ejmech.2022.114322
Mus musculus BV-2 IC50 10800.0 nM 10.1021/acs.jnatprod.5b01164
Mus musculus J774 Inhibition 42.2 % 10.1021/np070168z
Mus musculus J774 Inhibition 60.0 % 10.1021/np070168z
Mus musculus J774 Inhibition 63.9 % 10.1021/np070168z
Mus musculus J774 Inhibition 69.3 % 10.1021/np070168z
Mus musculus J774 Inhibition 97.0 % 10.1016/j.ejmech.2011.05.052
Mus musculus Mus musculus Activity nan None 10.1016/j.ejmech.2021.113250
Mus musculus Nuclear receptor ROR-gamma Potency 316.2 nM None
Mus musculus RAW264.7 Inhibition 56.9 % 10.1016/j.ejmech.2020.112366
Mus musculus RAW264.7 Inhibition 66.5 % 10.1016/j.ejmech.2020.112366
Mus musculus RAW264.7 Inhibition nan % 10.1016/j.ejmech.2018.06.027
Mus musculus RAW264.7 Inhibition nan % 10.1016/j.ejmech.2019.02.020
Mus musculus RAW264.7 Inhibition nan % 10.1021/np500796f
Mus musculus Transcription factor p65 Inhibition 95.0 % 10.1016/j.ejmech.2011.05.052
Mycobacterium tuberculosis Mycobacterium tuberculosis Activity 0.5 ug ml-1 10.1128/aac.00753-07
Mycobacterium tuberculosis Mycobacterium tuberculosis log10CFU/ml 0.06 None 10.1128/aac.00753-07
Mycobacterium tuberculosis Mycobacterium tuberculosis log10CFU/ml 0.13 None 10.1128/aac.00753-07
Mycobacterium tuberculosis Mycobacterium tuberculosis log10CFU/ml 0.42 None 10.1128/aac.00753-07
Mycobacterium tuberculosis Mycobacterium tuberculosis log10CFU/ml 0.89 None 10.1128/aac.00753-07
Mycobacterium tuberculosis Mycobacterium tuberculosis log10CFU/ml 0.94 None 10.1128/aac.00753-07
Mycobacterium tuberculosis Mycobacterium tuberculosis log10CFU/ml 2.65 None 10.1128/aac.00753-07
Mycobacterium tuberculosis Mycobacterium tuberculosis log10CFU/ml 6.19 None 10.1128/aac.00753-07
Mycobacterium tuberculosis Mycobacterium tuberculosis log10CFU/ml 7.1 None 10.1128/aac.00753-07
Mycobacterium tuberculosis Mycobacterium tuberculosis MBC 0.5 ug ml-1 10.1128/aac.00753-07
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 0.125 ug.mL-1 10.1128/aac.00753-07
Mycolicibacterium smegmatis Mycolicibacterium smegmatis MIC 16.0 ug.mL-1 10.1128/aac.00753-07
Rattus norvegicus Muscarinic acetylcholine receptor M1 Potency 4466.8 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 1683.4 nM None
Saccharomyces cerevisiae Saccharomyces cerevisiae Potency 25929.0 nM None
Trypanosoma brucei 6-phospho-1-fructokinase Potency 756.9 nM None
None NON-PROTEIN TARGET GI50 130.0 nM 10.1016/j.bmcl.2015.04.050
None NON-PROTEIN TARGET GI50 140.0 nM 10.1016/j.bmcl.2015.04.050
None NON-PROTEIN TARGET GI50 170.0 nM 10.1016/j.bmcl.2015.04.050
None Unchecked IC50 37000.0 nM 10.1021/acs.jnatprod.5b01103
None Unchecked IC50 37200.0 nM 10.1021/acsmedchemlett.6b00004
None Unchecked Inhibition nan % 10.1021/acs.jnatprod.6b00355
None Unchecked Potency 3162.3 nM None
None Unchecked Potency 10318.3 nM None
None Unchecked Potency 15848.9 nM None

Metabolism Information