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Pristinamycin 1A

AlkaPlorer ID: AK000393

Synonym: None

IUPAC Name: N-[(3S,6S,12R,15S,16R,19S,22S)-3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide

Structure

SMILES: CC[C@H]1N=C(O)[C@@H](N=C(O)C2=C(O)C=CC=N2)[C@@H](C)OC(=O)[C@H](C2=CC=CC=C2)N=C(O)[C@@H]2CC(=O)CCN2C(=O)[C@H](CC2=CC=C(N(C)C)C=C2)N(C)C(=O)[C@@H]2CCCN2C1=O

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InChI: InChI=1S/C45H54N8O10/c1-6-31-42(59)52-22-11-14-32(52)43(60)51(5)34(24-27-16-18-29(19-17-27)50(3)4)44(61)53-23-20-30(54)25-33(53)39(56)49-37(28-12-8-7-9-13-28)45(62)63-26(2)36(40(57)47-31)48-41(58)38-35(55)15-10-21-46-38/h7-10,12-13,15-19,21,26,31-34,36-37,55H,6,11,14,20,22-25H2,1-5H3,(H,47,57)(H,48,58)(H,49,56)/t26-,31-,32+,33+,34+,36+,37+/m1/s1

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InChIKey: YGXCETJZBDTKRY-DZCVGBHJSA-N

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Properties Information

Molecule Weight: 866.9729999999996

TPSA？: 238.43000000000004

MolLogP？: 3.525400000000003

Number of H-Donors: 4

Number of H-Acceptors: 12

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Escherichia coli Escherichia coli Antibiotic resistance nan None 10.1016/s0960-894x(98)00536-8
Escherichia coli Escherichia coli MIC 4.0 ug.mL-1 10.1128/aac.01052-07
Escherichia coli Escherichia coli MIC 64.0 ug.mL-1 10.1128/aac.01052-07
Homo sapiens P-glycoprotein 1 Activity nan None 10.1016/0922-4106(95)90193-0
Homo sapiens P-glycoprotein 1 Inhibition 55.0 % 10.1016/0922-4106(95)90193-0
Staphylococcus aureus Staphylococcus aureus Antibiotic resistance nan None 10.1016/s0960-894x(98)00536-8
None NON-PROTEIN TARGET Hepatotoxicity (acute) 0.0 % 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (animal toxicity known) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (benign tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (granulomatous hepatitis) 0.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (mechanism) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 0.0 % 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 0.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (time to onset) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET MIC 1.0 ug.mL-1 10.1128/aac.01052-07
None NON-PROTEIN TARGET MIC 2.0 ug.mL-1 10.1128/aac.01052-07
None NON-PROTEIN TARGET MIC 4.0 ug.mL-1 10.1128/aac.01052-07
None NON-PROTEIN TARGET MIC 8.0 ug.mL-1 10.1128/aac.01052-07
None NON-PROTEIN TARGET MIC 32.0 ug.mL-1 10.1128/aac.01052-07
None NON-PROTEIN TARGET MIC 128.0 ug.mL-1 10.1128/aac.01052-07
None Unchecked Hepatotoxicity (acute) 1.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (association with vascular disease) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (choleostasis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (chronic liver disease) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cirrhosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (comment) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cytolytic) 1.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (malignant tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (severe hepatitis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (steatosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (successful reintroduction) nan None 10.1016/s0399-8320(04)95062-2

Metabolism Information