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Siolipin B; Deoxy

AlkaPlorer ID: AK295169

Synonym: None

IUPAC Name: 2,5-bis(azaniumyl)pentanoate

Structure

SMILES: [NH3+]CCCC([NH3+])C(=O)[O-]

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InChI: InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/p+1

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InChIKey: AHLPHDHHMVZTML-UHFFFAOYSA-O

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Properties Information

Molecule Weight: 133.171

TPSA？: 95.41

MolLogP？: -3.631099999999997

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Histone deacetylase 6 Inhibition -5.26 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition -1.82 % 10.6019/CHEMBL4808148
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 10000.0 nM 10.6019/CHEMBL4651402

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT002402 CC(=O)NCCCC(N)C(=O)O>>NCCCC(N)C(=O)O enzymemap_76769
AKRT002603 CC(=O)N[C@@H](CCC(=O)O)C(=O)O.NCCCC(N)C(=O)O>>CC(=O)N[C@@H](CCCN)C(=O)O MNXR179136
AKRT002604 CC(=O)N[C@@H](CCC(=O)O)C(=O)O.NCCCC(N)C(=O)O>>N[C@@H](CCC(=O)O)C(=O)O MNXR179136
AKRT004073 CC(=O)O.NCCCC(N)C(=O)O>>CC(=O)N[C@@H](CCCN)C(=O)O MNXR179109
AKRT013679 C[C@H](N)C[C@@H](N)C(=O)O>>NCCCC(N)C(=O)O enzymemap_88249
AKRT017085 NC(=O)NCCC[C@H](N)C(=O)O>>NCCCC(N)C(=O)O MNXR180479
AKRT017146 NC(=O)OP(=O)(O)O.NCCCC(N)C(=O)O>>NC(=O)NCCC[C@H](N)C(=O)O MNXR179124
AKRT017380 NC(CCCNC(=O)CCl)C(=O)O>>NCCCC(N)C(=O)O enzymemap_76770
AKRT017449 NC(N)=O.NCCCC(N)C(=O)O>>N=C(N)NCCC[C@H](N)C(=O)O MNXR179137
AKRT017892 NCCCC(N)C(=O)O>>C[C@H](N)C[C@@H](N)C(=O)O enzymemap_88249
AKRT017893 NCCCC(NC(=O)C(Cl)Cl)C(=O)O>>NCCCC(N)C(=O)O enzymemap_76626
AKRT017981 NCCCCN.O=C=O>>NCCCC(N)C(=O)O MNXR179125
AKRT019094 N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O>>NCCCC(N)C(=O)O MNXR180482
AKRT019258 N[C@@H](CCC=O)C(=O)O>>NCCCC(N)C(=O)O MNXR179138
AKRT023024 O=C(O)[C@@H]1CCCN1>>NCCCC(N)C(=O)O MNXR179135