Natural Product: NPC306160

Natural Product ID:  NPC306160
Common Name:   Mauritamide D
IUPAC Name:   2-[(4,5-dibromo-1-methylpyrrole-2-carbonyl)amino]ethanesulfonic acid
Synonyms:   Mauritamide D
Molecular Formula:   C8H10Br2N2O4S
Standard InCHIKey:  XLFZWBFJVVACKA-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C8H10Br2N2O4S/c1-12-6(4-5(9)7(12)10)8(13)11-2-3-17(14,15)16/h4H,2-3H2,1H3,(H,11,13)(H,14,15,16)
Canonical SMILES:  Brc1c(Br)cc(n1C)C(=O)NCCS(=O)(=O)O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO33334 agelas sponges Species Agelasidae Eukaryota Indonesia PMID[20061160]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis MIC > 52000 nM 22464423
NPT1864 Cell Line L5178Y Mus musculus GI = 117.6 % 18591277

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC306160 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.8765 High Similarity NPC476413
0.8726 High Similarity NPC27296
0.8713 High Similarity NPC476414
0.8509 High Similarity NPC476418
0.8481 Intermediate Similarity NPC474236
0.8387 Intermediate Similarity NPC260041
0.8344 Intermediate Similarity NPC474383
0.8092 Intermediate Similarity NPC150592
0.7941 Intermediate Similarity NPC97106
0.7939 Intermediate Similarity NPC473706
0.7929 Intermediate Similarity NPC28096
0.7929 Intermediate Similarity NPC476421
0.7929 Intermediate Similarity NPC226835
0.7929 Intermediate Similarity NPC227489
0.7923 Intermediate Similarity NPC469716
0.7908 Intermediate Similarity NPC20021
0.7895 Intermediate Similarity NPC136441
0.7886 Intermediate Similarity NPC476423
0.7882 Intermediate Similarity NPC80528
0.7844 Intermediate Similarity NPC206148
0.7616 Intermediate Similarity NPC54214
0.7588 Intermediate Similarity NPC2414
0.7542 Intermediate Similarity NPC112489
0.7528 Intermediate Similarity NPC469814
0.7444 Intermediate Similarity NPC46022
0.7429 Intermediate Similarity NPC37268
0.7351 Intermediate Similarity NPC46811
0.7262 Intermediate Similarity NPC109158
0.7253 Intermediate Similarity NPC63571
0.7253 Intermediate Similarity NPC111566
0.7225 Intermediate Similarity NPC73687
0.7222 Intermediate Similarity NPC184932
0.7222 Intermediate Similarity NPC472861
0.7213 Intermediate Similarity NPC310633
0.7076 Intermediate Similarity NPC298288
0.7059 Intermediate Similarity NPC472260
0.7055 Intermediate Similarity NPC472288
0.7045 Intermediate Similarity NPC474696
0.7021 Intermediate Similarity NPC19342
0.7 Intermediate Similarity NPC52110
0.6936 Remote Similarity NPC142688
0.6933 Remote Similarity NPC291517
0.6927 Remote Similarity NPC19696
0.6927 Remote Similarity NPC469976
0.6927 Remote Similarity NPC136957
0.6902 Remote Similarity NPC270834
0.6893 Remote Similarity NPC233380
0.6889 Remote Similarity NPC271927
0.6885 Remote Similarity NPC40530
0.6885 Remote Similarity NPC314281
0.6859 Remote Similarity NPC476526
0.6859 Remote Similarity NPC329765
0.6859 Remote Similarity NPC48117
0.6856 Remote Similarity NPC9635
0.6832 Remote Similarity NPC71236
0.6829 Remote Similarity NPC23215
0.6823 Remote Similarity NPC174281
0.6823 Remote Similarity NPC475286
0.665 Remote Similarity NPC476524
0.665 Remote Similarity NPC476525
0.6587 Remote Similarity NPC98156
0.6587 Remote Similarity NPC195704
0.6587 Remote Similarity NPC292434
0.6587 Remote Similarity NPC14448
0.6587 Remote Similarity NPC138596
0.6587 Remote Similarity NPC167200
0.6587 Remote Similarity NPC200397
0.6587 Remote Similarity NPC64661
0.6562 Remote Similarity NPC210123
0.6537 Remote Similarity NPC50562
0.6505 Remote Similarity NPC67658
0.6497 Remote Similarity NPC477004
0.6486 Remote Similarity NPC186068
0.6474 Remote Similarity NPC133003
0.6461 Remote Similarity NPC74357
0.6442 Remote Similarity NPC469717
0.6433 Remote Similarity NPC59839
0.6433 Remote Similarity NPC209281
0.6433 Remote Similarity NPC169308
0.6433 Remote Similarity NPC3698
0.6433 Remote Similarity NPC244087
0.6433 Remote Similarity NPC97230
0.6433 Remote Similarity NPC205604
0.6433 Remote Similarity NPC77582
0.6433 Remote Similarity NPC129753
0.6433 Remote Similarity NPC302717
0.6433 Remote Similarity NPC48171
0.6433 Remote Similarity NPC12831
0.6433 Remote Similarity NPC286529
0.6433 Remote Similarity NPC74928
0.6429 Remote Similarity NPC77061
0.6404 Remote Similarity NPC33229
0.64 Remote Similarity NPC100726
0.6395 Remote Similarity NPC129412
0.6395 Remote Similarity NPC58268
0.6395 Remote Similarity NPC114033
0.6395 Remote Similarity NPC101130
0.6354 Remote Similarity NPC476527
0.6349 Remote Similarity NPC182940
0.634 Remote Similarity NPC268966
0.6337 Remote Similarity NPC88115
0.6321 Remote Similarity NPC175150
0.6321 Remote Similarity NPC243633
0.6318 Remote Similarity NPC106757
0.6313 Remote Similarity NPC75135
0.6286 Remote Similarity NPC467188
0.6277 Remote Similarity NPC476419
0.6256 Remote Similarity NPC168209
0.6256 Remote Similarity NPC324091
0.6244 Remote Similarity NPC474180
0.6244 Remote Similarity NPC188821
0.6236 Remote Similarity NPC473878
0.6236 Remote Similarity NPC471655
0.6224 Remote Similarity NPC243716
0.6223 Remote Similarity NPC469529
0.6222 Remote Similarity NPC209362
0.6218 Remote Similarity NPC474258
0.6215 Remote Similarity NPC105811
0.62 Remote Similarity NPC474389
0.6169 Remote Similarity NPC237414
0.6168 Remote Similarity NPC313823
0.6167 Remote Similarity NPC251391
0.6166 Remote Similarity NPC477003
0.6154 Remote Similarity NPC473946
0.6126 Remote Similarity NPC11126
0.6114 Remote Similarity NPC470205
0.6108 Remote Similarity NPC274981
0.6105 Remote Similarity NPC151635
0.6102 Remote Similarity NPC470440
0.61 Remote Similarity NPC79356
0.61 Remote Similarity NPC102592
0.6094 Remote Similarity NPC234403
0.6089 Remote Similarity NPC13432
0.6089 Remote Similarity NPC123906
0.6087 Remote Similarity NPC100104
0.6087 Remote Similarity NPC470680
0.6085 Remote Similarity NPC288074
0.6085 Remote Similarity NPC161861
0.6082 Remote Similarity NPC110158
0.608 Remote Similarity NPC477414
0.608 Remote Similarity NPC221726
0.608 Remote Similarity NPC225622
0.6077 Remote Similarity NPC281094
0.6066 Remote Similarity NPC213914
0.6059 Remote Similarity NPC166209
0.6059 Remote Similarity NPC13456
0.6059 Remote Similarity NPC269203
0.6059 Remote Similarity NPC77241
0.6057 Remote Similarity NPC238499
0.605 Remote Similarity NPC294693
0.6043 Remote Similarity NPC114637
0.6033 Remote Similarity NPC474492
0.6029 Remote Similarity NPC98864
0.6022 Remote Similarity NPC470679
0.6022 Remote Similarity NPC217021
0.6022 Remote Similarity NPC70406
0.602 Remote Similarity NPC179701
0.601 Remote Similarity NPC268744
0.601 Remote Similarity NPC153123
0.601 Remote Similarity NPC220797
0.601 Remote Similarity NPC475914
0.601 Remote Similarity NPC477042
0.601 Remote Similarity NPC474318
0.601 Remote Similarity NPC79777
0.601 Remote Similarity NPC201266
0.6 Remote Similarity NPC102664
0.6 Remote Similarity NPC228835
0.599 Remote Similarity NPC262898
0.598 Remote Similarity NPC476460
0.5979 Remote Similarity NPC471943
0.5971 Remote Similarity NPC317701
0.5961 Remote Similarity NPC248782
0.596 Remote Similarity NPC209917
0.5959 Remote Similarity NPC233050
0.5959 Remote Similarity NPC276540
0.5957 Remote Similarity NPC109447
0.5956 Remote Similarity NPC229055
0.5951 Remote Similarity NPC471944
0.5942 Remote Similarity NPC473239
0.5939 Remote Similarity NPC141612
0.5939 Remote Similarity NPC135601
0.5939 Remote Similarity NPC94752
0.5939 Remote Similarity NPC17273
0.5928 Remote Similarity NPC91179
0.5918 Remote Similarity NPC21429
0.5907 Remote Similarity NPC473380
0.5907 Remote Similarity NPC240088
0.5904 Remote Similarity NPC115232
0.5902 Remote Similarity NPC200214
0.5897 Remote Similarity NPC191415
0.5897 Remote Similarity NPC243381
0.5897 Remote Similarity NPC275292
0.5896 Remote Similarity NPC477413
0.5896 Remote Similarity NPC469715
0.5887 Remote Similarity NPC66642
0.5886 Remote Similarity NPC65408
0.5879 Remote Similarity NPC313889
0.5879 Remote Similarity NPC473628
0.5876 Remote Similarity NPC265710
0.587 Remote Similarity NPC34844

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC306160 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.6788 Remote Similarity NPD7459 Phase 2
0.6771 Remote Similarity NPD2289 Phase 3
0.6771 Remote Similarity NPD2290 Phase 3
0.6766 Remote Similarity NPD569 Clinical (unspecified phase)
0.6763 Remote Similarity NPD9343 Clinical (unspecified phase)
0.6463 Remote Similarity NPD1031 Discontinued
0.6402 Remote Similarity NPD1783 Clinical (unspecified phase)
0.634 Remote Similarity NPD5685 Approved
0.634 Remote Similarity NPD5686 Approved
0.6335 Remote Similarity NPD1096 Discontinued
0.6332 Remote Similarity NPD2405 Phase 3
0.625 Remote Similarity NPD1568 Clinical (unspecified phase)
0.6235 Remote Similarity NPD272 Approved
0.6223 Remote Similarity NPD4736 Clinical (unspecified phase)
0.6216 Remote Similarity NPD4643 Clinical (unspecified phase)
0.6198 Remote Similarity NPD1745 Approved
0.612 Remote Similarity NPD1630 Approved
0.6108 Remote Similarity NPD1631 Approved
0.6105 Remote Similarity NPD206 Clinical (unspecified phase)
0.6103 Remote Similarity NPD5198 Approved
0.6103 Remote Similarity NPD5199 Approved
0.6103 Remote Similarity NPD5820 Clinical (unspecified phase)
0.6062 Remote Similarity NPD3178 Discontinued
0.6058 Remote Similarity NPD7704 Clinical (unspecified phase)
0.6057 Remote Similarity NPD9599 Approved
0.605 Remote Similarity NPD953 Approved
0.6021 Remote Similarity NPD6044 Discontinued
0.6019 Remote Similarity NPD6288 Clinical (unspecified phase)
0.6011 Remote Similarity NPD175 Clinical (unspecified phase)
0.6 Remote Similarity NPD5274 Clinical (unspecified phase)
0.5991 Remote Similarity NPD6173 Approved
0.5979 Remote Similarity NPD1573 Approved
0.5979 Remote Similarity NPD1575 Approved
0.5959 Remote Similarity NPD3077 Approved
0.5959 Remote Similarity NPD3076 Approved
0.5959 Remote Similarity NPD3079 Approved
0.5959 Remote Similarity NPD3078 Approved
0.5959 Remote Similarity NPD2590 Clinical (unspecified phase)
0.5951 Remote Similarity NPD5017 Discontinued
0.595 Remote Similarity NPD7098 Clinical (unspecified phase)
0.5949 Remote Similarity NPD3320 Approved
0.5949 Remote Similarity NPD3319 Phase 1
0.5949 Remote Similarity NPD3318 Approved
0.5928 Remote Similarity NPD3927 Phase 2
0.5914 Remote Similarity NPD1403 Approved
0.5914 Remote Similarity NPD1404 Approved
0.5913 Remote Similarity NPD6156 Clinical (unspecified phase)
0.59 Remote Similarity NPD5592 Clinical (unspecified phase)
0.5886 Remote Similarity NPD200 Phase 2
0.5886 Remote Similarity NPD201 Phase 2
0.588 Remote Similarity NPD6369 Clinical (unspecified phase)
0.5879 Remote Similarity NPD1284 Clinical (unspecified phase)
0.5874 Remote Similarity NPD7817 Phase 1
0.5871 Remote Similarity NPD981 Phase 2
0.587 Remote Similarity NPD4436 Clinical (unspecified phase)
0.5859 Remote Similarity NPD4426 Clinical (unspecified phase)
0.5859 Remote Similarity NPD5809 Phase 3
0.5855 Remote Similarity NPD4385 Clinical (unspecified phase)
0.5843 Remote Similarity NPD9598 Discontinued
0.5842 Remote Similarity NPD1292 Clinical (unspecified phase)
0.5842 Remote Similarity NPD4348 Clinical (unspecified phase)
0.5833 Remote Similarity NPD1952 Discontinued
0.5825 Remote Similarity NPD4398 Clinical (unspecified phase)
0.5824 Remote Similarity NPD1781 Discontinued
0.5821 Remote Similarity NPD6180 Clinical (unspecified phase)
0.5816 Remote Similarity NPD4399 Phase 2
0.5815 Remote Similarity NPD180 Clinical (unspecified phase)
0.5804 Remote Similarity NPD6263 Clinical (unspecified phase)
0.5803 Remote Similarity NPD1586 Approved
0.5803 Remote Similarity NPD4883 Approved
0.5797 Remote Similarity NPD3890 Phase 2
0.5797 Remote Similarity NPD3891 Phase 2
0.5797 Remote Similarity NPD7727 Phase 2
0.5795 Remote Similarity NPD1587 Approved
0.5793 Remote Similarity NPD9392 Approved
0.5793 Remote Similarity NPD9396 Approved
0.5792 Remote Similarity NPD7913 Clinical (unspecified phase)
0.5789 Remote Similarity NPD2639 Approved
0.5789 Remote Similarity NPD8272 Phase 2
0.5789 Remote Similarity NPD2642 Approved
0.5789 Remote Similarity NPD8114 Approved
0.5789 Remote Similarity NPD8169 Discontinued
0.5789 Remote Similarity NPD8115 Approved
0.5787 Remote Similarity NPD5092 Clinical (unspecified phase)
0.5787 Remote Similarity NPD7401 Clinical (unspecified phase)
0.5784 Remote Similarity NPD7027 Phase 3
0.5775 Remote Similarity NPD6152 Phase 1
0.5765 Remote Similarity NPD1291 Clinical (unspecified phase)
0.5765 Remote Similarity NPD1618 Phase 2
0.5764 Remote Similarity NPD460 Discontinued
0.5762 Remote Similarity NPD4904 Approved
0.5762 Remote Similarity NPD7289 Clinical (unspecified phase)
0.5761 Remote Similarity NPD510 Phase 1
0.5761 Remote Similarity NPD5965 Clinical (unspecified phase)
0.5759 Remote Similarity NPD2641 Approved
0.5759 Remote Similarity NPD2185 Clinical (unspecified phase)
0.5759 Remote Similarity NPD2640 Approved
0.5758 Remote Similarity NPD1056 Approved
0.5758 Remote Similarity NPD3607 Clinical (unspecified phase)
0.5758 Remote Similarity NPD7564 Discontinued
0.5754 Remote Similarity NPD5020 Approved
0.5753 Remote Similarity NPD276 Clinical (unspecified phase)
0.5751 Remote Similarity NPD4524 Discontinued
0.5751 Remote Similarity NPD750 Phase 2
0.5749 Remote Similarity NPD4961 Approved
0.5747 Remote Similarity NPD9100 Approved
0.5744 Remote Similarity NPD5755 Clinical (unspecified phase)
0.5743 Remote Similarity NPD1658 Discontinued
0.5735 Remote Similarity NPD7619 Phase 3
0.5735 Remote Similarity NPD7618 Phase 3
0.5728 Remote Similarity NPD7998 Clinical (unspecified phase)
0.5728 Remote Similarity NPD7204 Clinical (unspecified phase)
0.5721 Remote Similarity NPD4963 Approved
0.5721 Remote Similarity NPD4962 Approved
0.5721 Remote Similarity NPD7903 Clinical (unspecified phase)
0.5714 Remote Similarity NPD6771 Discontinued
0.5714 Remote Similarity NPD4903 Approved
0.5714 Remote Similarity NPD4906 Approved
0.5714 Remote Similarity NPD5787 Discontinued
0.5714 Remote Similarity NPD4905 Approved
0.5707 Remote Similarity NPD4848 Phase 1
0.5699 Remote Similarity NPD2061 Approved
0.5694 Remote Similarity NPD4134 Clinical (unspecified phase)
0.5689 Remote Similarity NPD4811 Discontinued
0.5687 Remote Similarity NPD5906 Clinical (unspecified phase)
0.5685 Remote Similarity NPD1643 Phase 3
0.5684 Remote Similarity NPD3583 Phase 2
0.5678 Remote Similarity NPD2416 Approved
0.5678 Remote Similarity NPD2417 Approved
0.5674 Remote Similarity NPD2323 Clinical (unspecified phase)
0.5672 Remote Similarity NPD6632 Clinical (unspecified phase)
0.5668 Remote Similarity NPD4851 Clinical (unspecified phase)
0.5667 Remote Similarity NPD4133 Approved
0.5652 Remote Similarity NPD4397 Phase 1
0.5646 Remote Similarity NPD5333 Clinical (unspecified phase)
0.5642 Remote Similarity NPD2787 Clinical (unspecified phase)
0.564 Remote Similarity NPD3947 Discontinued
0.5637 Remote Similarity NPD3288 Approved
0.5636 Remote Similarity NPD1057 Approved
0.5636 Remote Similarity NPD1055 Approved
0.5635 Remote Similarity NPD4637 Clinical (unspecified phase)
0.5634 Remote Similarity NPD2443 Approved
0.5634 Remote Similarity NPD2442 Approved
0.5634 Remote Similarity NPD4960 Approved
0.5634 Remote Similarity NPD4959 Approved
0.5631 Remote Similarity NPD7717 Approved
0.5631 Remote Similarity NPD7716 Approved
0.5625 Remote Similarity NPD7049 Clinical (unspecified phase)
0.5625 Remote Similarity NPD7308 Discontinued
0.5625 Remote Similarity NPD4174 Clinical (unspecified phase)
0.5625 Remote Similarity NPD5636 Discontinued
0.5622 Remote Similarity NPD971 Clinical (unspecified phase)
0.5622 Remote Similarity NPD7971 Clinical (unspecified phase)
0.5622 Remote Similarity NPD7970 Approved
0.5619 Remote Similarity NPD754 Clinical (unspecified phase)
0.5616 Remote Similarity NPD6578 Clinical (unspecified phase)
0.5613 Remote Similarity NPD4559 Clinical (unspecified phase)
0.5613 Remote Similarity NPD3967 Approved
0.5612 Remote Similarity NPD749 Clinical (unspecified phase)
0.5607 Remote Similarity NPD1600 Suspended
0.5607 Remote Similarity NPD3968 Approved
0.5602 Remote Similarity NPD7195 Clinical (unspecified phase)
0.56 Remote Similarity NPD803 Phase 1

Structure

External Identifiers

PubChem CID   46232129
ChEMBL   CHEMBL599549
ZINC  

Physicochemical Properties

Molecular Weight:  387.87
ALogP:  0.5964
MLogP:  1.35
XLogP:  0.617
# Rotatable Bonds:  9
Polar Surface Area:  96.78
# H-Bond Aceptor:  6
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  17

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs