Natural Product: NPC138596

Natural Product ID:  NPC138596
Common Name:   Mycalazal 3
IUPAC Name:   5-[(12Z,15Z,18Z)-henicosa-12,15,18-trienyl]-1H-pyrrole-2-carbaldehyde
Synonyms:   Mycalazal 3
Molecular Formula:   C26H41NO
Standard InCHIKey:  SFCFCEYDHFNJIZ-PDBXOOCHSA-N
Standard InCHI:  InChI=1S/C26H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-23-26(24-28)27-25/h3-4,6-7,9-10,22-24,27H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9-
Canonical SMILES:  CC/C=CC/C=CC/C=CCCCCCCCCCCCc1ccc([nH]1)C=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
NPO32868 mycale sp. Species Mycalidae Eukaryota PMID[19845338]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 20000 nM 18341287

  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 NPC138596 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
1.0 High Similarity NPC167200
1.0 High Similarity NPC195704
1.0 High Similarity NPC64661
1.0 High Similarity NPC200397
1.0 High Similarity NPC98156
1.0 High Similarity NPC292434
1.0 High Similarity NPC14448
0.9624 High Similarity NPC58268
0.9624 High Similarity NPC129412
0.9624 High Similarity NPC101130
0.9624 High Similarity NPC114033
0.9549 High Similarity NPC205604
0.9549 High Similarity NPC77582
0.9549 High Similarity NPC286529
0.9549 High Similarity NPC12831
0.9549 High Similarity NPC129753
0.9549 High Similarity NPC169308
0.9549 High Similarity NPC48171
0.9549 High Similarity NPC59839
0.9549 High Similarity NPC209281
0.9549 High Similarity NPC244087
0.9549 High Similarity NPC74928
0.9549 High Similarity NPC302717
0.9549 High Similarity NPC97230
0.9549 High Similarity NPC3698
0.8345 Intermediate Similarity NPC23215
0.8085 Intermediate Similarity NPC291517
0.8041 Intermediate Similarity NPC13432
0.7961 Intermediate Similarity NPC76982
0.7857 Intermediate Similarity NPC71236
0.7847 Intermediate Similarity NPC472288
0.7817 Intermediate Similarity NPC20021
0.7707 Intermediate Similarity NPC115232
0.7639 Intermediate Similarity NPC150592
0.7535 Intermediate Similarity NPC313823
0.7483 Intermediate Similarity NPC260041
0.7378 Intermediate Similarity NPC151635
0.7375 Intermediate Similarity NPC42372
0.7375 Intermediate Similarity NPC71132
0.7362 Intermediate Similarity NPC252572
0.7358 Intermediate Similarity NPC214106
0.7349 Intermediate Similarity NPC477042
0.7317 Intermediate Similarity NPC293216
0.7278 Intermediate Similarity NPC133003
0.7239 Intermediate Similarity NPC471943
0.7179 Intermediate Similarity NPC471655
0.7175 Intermediate Similarity NPC472297
0.7175 Intermediate Similarity NPC472296
0.716 Intermediate Similarity NPC102755
0.7143 Intermediate Similarity NPC88110
0.7118 Intermediate Similarity NPC477003
0.711 Intermediate Similarity NPC324091
0.7101 Intermediate Similarity NPC470677
0.7079 Intermediate Similarity NPC477045
0.7059 Intermediate Similarity NPC159125
0.7055 Intermediate Similarity NPC233380
0.7052 Intermediate Similarity NPC209917
0.7044 Intermediate Similarity NPC33229
0.7029 Intermediate Similarity NPC472292
0.7024 Intermediate Similarity NPC284775
0.7019 Intermediate Similarity NPC474492
0.7006 Intermediate Similarity NPC472293
0.7 Intermediate Similarity NPC142688
0.6994 Remote Similarity NPC271797
0.6994 Remote Similarity NPC206148
0.6994 Remote Similarity NPC21174
0.6993 Remote Similarity NPC41174
0.6989 Remote Similarity NPC81802
0.6989 Remote Similarity NPC247735
0.6989 Remote Similarity NPC472295
0.6989 Remote Similarity NPC269886
0.6989 Remote Similarity NPC472210
0.6975 Remote Similarity NPC100104
0.6975 Remote Similarity NPC470680
0.6959 Remote Similarity NPC117027
0.6946 Remote Similarity NPC161861
0.6943 Remote Similarity NPC100726
0.6933 Remote Similarity NPC242116
0.6927 Remote Similarity NPC477041
0.6927 Remote Similarity NPC477044
0.691 Remote Similarity NPC102592
0.691 Remote Similarity NPC79356
0.6901 Remote Similarity NPC191415
0.6886 Remote Similarity NPC54214
0.6886 Remote Similarity NPC262338
0.6875 Remote Similarity NPC476460
0.6857 Remote Similarity NPC473666
0.6855 Remote Similarity NPC52110
0.6855 Remote Similarity NPC473878
0.6848 Remote Similarity NPC2414
0.6839 Remote Similarity NPC160381
0.6821 Remote Similarity NPC110158
0.6818 Remote Similarity NPC85443
0.681 Remote Similarity NPC80681
0.6807 Remote Similarity NPC470509
0.6807 Remote Similarity NPC114637
0.68 Remote Similarity NPC475450
0.6798 Remote Similarity NPC304203
0.677 Remote Similarity NPC251391
0.6763 Remote Similarity NPC470205
0.676 Remote Similarity NPC220151
0.676 Remote Similarity NPC19692
0.6748 Remote Similarity NPC27296
0.6746 Remote Similarity NPC80528
0.6744 Remote Similarity NPC469896
0.6743 Remote Similarity NPC141612
0.6743 Remote Similarity NPC17273
0.6743 Remote Similarity NPC135601
0.6742 Remote Similarity NPC472113
0.6728 Remote Similarity NPC474236
0.6709 Remote Similarity NPC467188
0.6708 Remote Similarity NPC472260
0.6703 Remote Similarity NPC477043
0.6689 Remote Similarity NPC250361
0.6687 Remote Similarity NPC8104
0.6687 Remote Similarity NPC476418
0.6686 Remote Similarity NPC6982
0.6685 Remote Similarity NPC141454
0.6667 Remote Similarity NPC473587
0.6667 Remote Similarity NPC196251
0.6667 Remote Similarity NPC111602
0.6667 Remote Similarity NPC473706
0.6667 Remote Similarity NPC63199
0.6667 Remote Similarity NPC213774
0.6667 Remote Similarity NPC102338
0.6649 Remote Similarity NPC317701
0.6649 Remote Similarity NPC165599
0.6648 Remote Similarity NPC476527
0.6647 Remote Similarity NPC91179
0.6647 Remote Similarity NPC79777
0.6646 Remote Similarity NPC242556
0.6646 Remote Similarity NPC299594
0.6645 Remote Similarity NPC104049
0.6629 Remote Similarity NPC472112
0.6629 Remote Similarity NPC21429
0.6628 Remote Similarity NPC84827
0.6628 Remote Similarity NPC234987
0.6628 Remote Similarity NPC145885
0.6628 Remote Similarity NPC14113
0.6626 Remote Similarity NPC75135
0.6626 Remote Similarity NPC209362
0.6623 Remote Similarity NPC475428
0.6623 Remote Similarity NPC22079
0.6612 Remote Similarity NPC477004
0.6611 Remote Similarity NPC326422
0.6608 Remote Similarity NPC37268
0.6605 Remote Similarity NPC470679
0.6605 Remote Similarity NPC217021
0.6605 Remote Similarity NPC70406
0.6604 Remote Similarity NPC470440
0.66 Remote Similarity NPC473762
0.66 Remote Similarity NPC471589
0.6591 Remote Similarity NPC241025
0.659 Remote Similarity NPC219336
0.6587 Remote Similarity NPC274981
0.6587 Remote Similarity NPC306160
0.6585 Remote Similarity NPC169586
0.6584 Remote Similarity NPC123906
0.6579 Remote Similarity NPC179365
0.6568 Remote Similarity NPC70949
0.6561 Remote Similarity NPC469784
0.6561 Remote Similarity NPC469761
0.6561 Remote Similarity NPC469768
0.6561 Remote Similarity NPC469767
0.6561 Remote Similarity NPC469780
0.6561 Remote Similarity NPC469783
0.6561 Remote Similarity NPC469779
0.6556 Remote Similarity NPC47190
0.6554 Remote Similarity NPC63571
0.6552 Remote Similarity NPC234403
0.6543 Remote Similarity NPC313889
0.6543 Remote Similarity NPC105818
0.6543 Remote Similarity NPC24678
0.6541 Remote Similarity NPC471944
0.6536 Remote Similarity NPC473930
0.6536 Remote Similarity NPC154339
0.6532 Remote Similarity NPC15573
0.6532 Remote Similarity NPC217372
0.6532 Remote Similarity NPC183662
0.6532 Remote Similarity NPC83774
0.6527 Remote Similarity NPC26491
0.6526 Remote Similarity NPC303951
0.6524 Remote Similarity NPC470507
0.6524 Remote Similarity NPC132539
0.6522 Remote Similarity NPC105811
0.6519 Remote Similarity NPC469766
0.6519 Remote Similarity NPC267343
0.6517 Remote Similarity NPC310633
0.6514 Remote Similarity NPC113626
0.6512 Remote Similarity NPC186068
0.6503 Remote Similarity NPC167710
0.65 Remote Similarity NPC138370
0.65 Remote Similarity NPC314372
0.6495 Remote Similarity NPC472285
0.6494 Remote Similarity NPC248041
0.6494 Remote Similarity NPC126709
0.6494 Remote Similarity NPC11126
0.6492 Remote Similarity NPC9894
0.6492 Remote Similarity NPC23294
0.6489 Remote Similarity NPC45190

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC138596 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
0.7423 Intermediate Similarity NPD4736 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD569 Clinical (unspecified phase)
0.7202 Intermediate Similarity NPD3178 Discontinued
0.7125 Intermediate Similarity NPD1630 Approved
0.7059 Intermediate Similarity NPD3318 Approved
0.7059 Intermediate Similarity NPD3319 Phase 1
0.7059 Intermediate Similarity NPD3320 Approved
0.7018 Intermediate Similarity NPD3607 Clinical (unspecified phase)
0.6994 Remote Similarity NPD1631 Approved
0.6981 Remote Similarity NPD180 Clinical (unspecified phase)
0.6914 Remote Similarity NPD2213 Approved
0.6914 Remote Similarity NPD2214 Approved
0.6842 Remote Similarity NPD5473 Discontinued
0.6813 Remote Similarity NPD9343 Clinical (unspecified phase)
0.6807 Remote Similarity NPD4643 Clinical (unspecified phase)
0.6766 Remote Similarity NPD2844 Phase 3
0.6743 Remote Similarity NPD4426 Clinical (unspecified phase)
0.6726 Remote Similarity NPD1573 Approved
0.6726 Remote Similarity NPD1575 Approved
0.6706 Remote Similarity NPD1586 Approved
0.6647 Remote Similarity NPD4524 Discontinued
0.6644 Remote Similarity NPD5787 Discontinued
0.6624 Remote Similarity NPD3834 Clinical (unspecified phase)
0.6613 Remote Similarity NPD6288 Clinical (unspecified phase)
0.659 Remote Similarity NPD1587 Approved
0.6556 Remote Similarity NPD1896 Approved
0.6552 Remote Similarity NPD1291 Clinical (unspecified phase)
0.6548 Remote Similarity NPD1568 Clinical (unspecified phase)
0.6543 Remote Similarity NPD3833 Phase 3
0.6543 Remote Similarity NPD3835 Phase 3
0.6532 Remote Similarity NPD7865 Approved
0.6532 Remote Similarity NPD5755 Clinical (unspecified phase)
0.6519 Remote Similarity NPD1592 Phase 3
0.6519 Remote Similarity NPD5020 Approved
0.6507 Remote Similarity NPD4811 Discontinued
0.65 Remote Similarity NPD6180 Clinical (unspecified phase)
0.649 Remote Similarity NPD5352 Clinical (unspecified phase)
0.649 Remote Similarity NPD1031 Discontinued
0.6474 Remote Similarity NPD749 Clinical (unspecified phase)
0.6456 Remote Similarity NPD3943 Clinical (unspecified phase)
0.6448 Remote Similarity NPD1871 Approved
0.6442 Remote Similarity NPD4463 Approved
0.6442 Remote Similarity NPD4462 Approved
0.6429 Remote Similarity NPD1627 Clinical (unspecified phase)
0.642 Remote Similarity NPD1783 Clinical (unspecified phase)
0.6416 Remote Similarity NPD482 Approved
0.6414 Remote Similarity NPD9396 Approved
0.6414 Remote Similarity NPD9392 Approved
0.6412 Remote Similarity NPD7864 Approved
0.6412 Remote Similarity NPD7863 Approved
0.6392 Remote Similarity NPD786 Approved
0.6392 Remote Similarity NPD4804 Approved
0.6384 Remote Similarity NPD2092 Phase 2
0.6384 Remote Similarity NPD5728 Clinical (unspecified phase)
0.6384 Remote Similarity NPD1745 Approved
0.6384 Remote Similarity NPD2094 Phase 2
0.6384 Remote Similarity NPD2095 Phase 2
0.6383 Remote Similarity NPD6176 Phase 1
0.6379 Remote Similarity NPD4385 Clinical (unspecified phase)
0.6374 Remote Similarity NPD1343 Approved
0.6374 Remote Similarity NPD7866 Approved
0.6373 Remote Similarity NPD7454 Approved
0.6373 Remote Similarity NPD7455 Approved
0.6369 Remote Similarity NPD201 Phase 2
0.6369 Remote Similarity NPD200 Phase 2
0.6354 Remote Similarity NPD4499 Approved
0.6348 Remote Similarity NPD2096 Phase 2
0.6348 Remote Similarity NPD2091 Phase 2
0.6348 Remote Similarity NPD1096 Discontinued
0.6348 Remote Similarity NPD7564 Discontinued
0.6339 Remote Similarity NPD460 Discontinued
0.6335 Remote Similarity NPD5254 Discontinued
0.6328 Remote Similarity NPD4011 Clinical (unspecified phase)
0.6319 Remote Similarity NPD5592 Clinical (unspecified phase)
0.6316 Remote Similarity NPD2715 Clinical (unspecified phase)
0.6316 Remote Similarity NPD2008 Discontinued
0.6312 Remote Similarity NPD4805 Approved
0.631 Remote Similarity NPD4501 Approved
0.631 Remote Similarity NPD4500 Approved
0.6307 Remote Similarity NPD3077 Approved
0.6307 Remote Similarity NPD3079 Approved
0.6307 Remote Similarity NPD3076 Approved
0.6307 Remote Similarity NPD2590 Clinical (unspecified phase)
0.6307 Remote Similarity NPD3078 Approved
0.6306 Remote Similarity NPD198 Clinical (unspecified phase)
0.6302 Remote Similarity NPD4506 Discontinued
0.6296 Remote Similarity NPD2121 Clinical (unspecified phase)
0.6284 Remote Similarity NPD1079 Discontinued
0.6277 Remote Similarity NPD7727 Phase 2
0.6277 Remote Similarity NPD7817 Phase 1
0.6271 Remote Similarity NPD1643 Phase 3
0.627 Remote Similarity NPD4848 Phase 1
0.6269 Remote Similarity NPD7998 Clinical (unspecified phase)
0.6266 Remote Similarity NPD1262 Discovery
0.6264 Remote Similarity NPD5686 Approved
0.6264 Remote Similarity NPD5685 Approved
0.6263 Remote Similarity NPD5901 Discontinued
0.6263 Remote Similarity NPD2721 Clinical (unspecified phase)
0.6263 Remote Similarity NPD3947 Discontinued
0.625 Remote Similarity NPD2509 Approved
0.625 Remote Similarity NPD2510 Approved
0.625 Remote Similarity NPD9599 Approved
0.625 Remote Similarity NPD6376 Discontinued
0.625 Remote Similarity NPD4348 Clinical (unspecified phase)
0.6243 Remote Similarity NPD3246 Discontinued
0.6242 Remote Similarity NPD272 Approved
0.622 Remote Similarity NPD1270 Approved
0.6218 Remote Similarity NPD7704 Clinical (unspecified phase)
0.6218 Remote Similarity NPD1600 Suspended
0.6216 Remote Similarity NPD7618 Phase 3
0.6216 Remote Similarity NPD7619 Phase 3
0.6211 Remote Similarity NPD1722 Approved
0.6209 Remote Similarity NPD1534 Approved
0.6203 Remote Similarity NPD1982 Phase 1
0.6199 Remote Similarity NPD3583 Phase 2
0.6193 Remote Similarity NPD3238 Discontinued
0.619 Remote Similarity NPD276 Clinical (unspecified phase)
0.6188 Remote Similarity NPD5809 Phase 3
0.6188 Remote Similarity NPD5820 Clinical (unspecified phase)
0.6182 Remote Similarity NPD3100 Discontinued
0.6181 Remote Similarity NPD4823 Approved
0.6181 Remote Similarity NPD5198 Approved
0.6181 Remote Similarity NPD4824 Approved
0.6181 Remote Similarity NPD5199 Approved
0.618 Remote Similarity NPD3927 Phase 2
0.6178 Remote Similarity NPD8098 Approved
0.6178 Remote Similarity NPD8115 Approved
0.6178 Remote Similarity NPD8283 Approved
0.6178 Remote Similarity NPD8114 Approved
0.6178 Remote Similarity NPD56 Approved
0.6178 Remote Similarity NPD8282 Approved
0.6171 Remote Similarity NPD750 Phase 2
0.6166 Remote Similarity NPD8399 Phase 1
0.6166 Remote Similarity NPD8423 Phase 2
0.6163 Remote Similarity NPD2915 Discontinued
0.6163 Remote Similarity NPD5744 Clinical (unspecified phase)
0.6158 Remote Similarity NPD2753 Discontinued
0.6154 Remote Similarity NPD4988 Discontinued
0.615 Remote Similarity NPD6664 Approved
0.6145 Remote Similarity NPD2172 Phase 1
0.6141 Remote Similarity NPD6630 Clinical (unspecified phase)
0.6139 Remote Similarity NPD4880 Discontinued
0.6138 Remote Similarity NPD4600 Approved
0.6138 Remote Similarity NPD8248 Clinical (unspecified phase)
0.6138 Remote Similarity NPD4601 Approved
0.6136 Remote Similarity NPD4883 Approved
0.6134 Remote Similarity NPD7941 Phase 3
0.6129 Remote Similarity NPD1619 Phase 3
0.6129 Remote Similarity NPD3654 Approved
0.6122 Remote Similarity NPD6657 Clinical (unspecified phase)
0.6122 Remote Similarity NPD8097 Phase 3
0.6122 Remote Similarity NPD2411 Approved
0.6122 Remote Similarity NPD8096 Phase 3
0.6111 Remote Similarity NPD3393 Approved
0.6111 Remote Similarity NPD3389 Approved
0.6111 Remote Similarity NPD3394 Approved
0.6111 Remote Similarity NPD7401 Clinical (unspecified phase)
0.6108 Remote Similarity NPD5965 Clinical (unspecified phase)
0.6108 Remote Similarity NPD4922 Phase 2
0.6105 Remote Similarity NPD5017 Discontinued
0.6102 Remote Similarity NPD4075 Phase 2
0.61 Remote Similarity NPD6770 Approved
0.6098 Remote Similarity NPD175 Clinical (unspecified phase)
0.6092 Remote Similarity NPD5069 Clinical (unspecified phase)
0.6092 Remote Similarity NPD1292 Clinical (unspecified phase)
0.609 Remote Similarity NPD3476 Approved
0.609 Remote Similarity NPD3475 Approved
0.6089 Remote Similarity NPD2479 Phase 3
0.6089 Remote Similarity NPD2481 Approved
0.6087 Remote Similarity NPD1905 Clinical (unspecified phase)
0.6084 Remote Similarity NPD4374 Clinical (unspecified phase)
0.6082 Remote Similarity NPD6459 Phase 2
0.6082 Remote Similarity NPD2442 Approved
0.6082 Remote Similarity NPD2443 Approved
0.6074 Remote Similarity NPD4637 Clinical (unspecified phase)
0.6074 Remote Similarity NPD9724 Phase 1
0.6068 Remote Similarity NPD5479 Discontinued
0.6065 Remote Similarity NPD2919 Clinical (unspecified phase)
0.6065 Remote Similarity NPD2918 Clinical (unspecified phase)
0.6064 Remote Similarity NPD2880 Discontinued
0.6064 Remote Similarity NPD5003 Discontinued
0.6062 Remote Similarity NPD7289 Clinical (unspecified phase)
0.6061 Remote Similarity NPD3757 Clinical (unspecified phase)
0.6056 Remote Similarity NPD9098 Phase 3
0.6056 Remote Similarity NPD9099 Clinical (unspecified phase)
0.6054 Remote Similarity NPD1658 Discontinued
0.6053 Remote Similarity NPD1640 Clinical (unspecified phase)
0.6047 Remote Similarity NPD5400 Approved
0.6043 Remote Similarity NPD7406 Phase 2
0.6041 Remote Similarity NPD7657 Approved
0.6041 Remote Similarity NPD7656 Approved
0.6036 Remote Similarity NPD2061 Approved
0.6036 Remote Similarity NPD5257 Clinical (unspecified phase)
0.6034 Remote Similarity NPD8304 Clinical (unspecified phase)
0.6032 Remote Similarity NPD7459 Phase 2
0.6032 Remote Similarity NPD7946 Pre-registration
0.603 Remote Similarity NPD8160 Phase 2
0.6023 Remote Similarity NPD1554 Clinical (unspecified phase)
0.6013 Remote Similarity NPD9100 Approved
0.6012 Remote Similarity NPD5138 Approved

Structure

External Identifiers

PubChem CID   11429041
ChEMBL   CHEMBL1080456
ZINC  

Physicochemical Properties

Molecular Weight:  383.32
ALogP:  -1.4021
MLogP:  4.1
XLogP:  11.357
# Rotatable Bonds:  19
Polar Surface Area:  32.86
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  28

Download Data

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