Natural Product: NPC102664

Natural Product ID:  NPC102664
Common Name:   Isobatzelline C
IUPAC Name:  
Synonyms:   Isobatzelline C
Molecular Formula:   C11H10ClN3O
Standard InCHIKey:  QNUUYJZICNRMSA-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C11H10ClN3O/c1-15-4-5-2-3-14-9-6(5)10(15)11(16)8(13)7(9)12/h4H,2-3,13H2,1H3
Canonical SMILES:  ClC1=C(N)C(=O)c2c3C1=NCCc3cn2C
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
NPO32549 zyzzya fuliginosa Species NA Eukaryota indopacific PMID[12027767]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 200 nM 25819096

  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 NPC102664 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
0.9371 High Similarity NPC100726
0.898 High Similarity NPC473878
0.8851 High Similarity NPC471655
0.8667 High Similarity NPC217021
0.8667 High Similarity NPC470679
0.8452 Intermediate Similarity NPC470680
0.8452 Intermediate Similarity NPC100104
0.8269 Intermediate Similarity NPC474492
0.8121 Intermediate Similarity NPC182940
0.8086 Intermediate Similarity NPC262338
0.8 Intermediate Similarity NPC274981
0.7935 Intermediate Similarity NPC123906
0.7898 Intermediate Similarity NPC251391
0.7885 Intermediate Similarity NPC313889
0.7798 Intermediate Similarity NPC79777
0.7798 Intermediate Similarity NPC234403
0.7746 Intermediate Similarity NPC268966
0.7742 Intermediate Similarity NPC467188
0.7736 Intermediate Similarity NPC229055
0.7722 Intermediate Similarity NPC70406
0.7571 Intermediate Similarity NPC93390
0.7532 Intermediate Similarity NPC105811
0.7529 Intermediate Similarity NPC477415
0.7529 Intermediate Similarity NPC23476
0.7529 Intermediate Similarity NPC474259
0.7486 Intermediate Similarity NPC473628
0.7486 Intermediate Similarity NPC78767
0.7486 Intermediate Similarity NPC473814
0.7485 Intermediate Similarity NPC80681
0.7443 Intermediate Similarity NPC475874
0.7407 Intermediate Similarity NPC209362
0.7391 Intermediate Similarity NPC472260
0.7386 Intermediate Similarity NPC291517
0.7384 Intermediate Similarity NPC477042
0.7371 Intermediate Similarity NPC469359
0.7353 Intermediate Similarity NPC469529
0.7337 Intermediate Similarity NPC302647
0.7318 Intermediate Similarity NPC477414
0.7318 Intermediate Similarity NPC473821
0.7318 Intermediate Similarity NPC221726
0.7318 Intermediate Similarity NPC225622
0.729 Intermediate Similarity NPC472288
0.7285 Intermediate Similarity NPC71236
0.7283 Intermediate Similarity NPC106757
0.7241 Intermediate Similarity NPC191415
0.7238 Intermediate Similarity NPC292361
0.7204 Intermediate Similarity NPC88115
0.7202 Intermediate Similarity NPC233380
0.7198 Intermediate Similarity NPC74153
0.7184 Intermediate Similarity NPC73994
0.7168 Intermediate Similarity NPC284775
0.7168 Intermediate Similarity NPC83774
0.7152 Intermediate Similarity NPC74357
0.712 Intermediate Similarity NPC474767
0.7118 Intermediate Similarity NPC70949
0.7108 Intermediate Similarity NPC213914
0.7104 Intermediate Similarity NPC167710
0.7086 Intermediate Similarity NPC61011
0.707 Intermediate Similarity NPC65408
0.7069 Intermediate Similarity NPC157583
0.7062 Intermediate Similarity NPC477003
0.7052 Intermediate Similarity NPC186068
0.7041 Intermediate Similarity NPC265100
0.7022 Intermediate Similarity NPC311282
0.6978 Remote Similarity NPC216550
0.6973 Remote Similarity NPC476143
0.6971 Remote Similarity NPC237188
0.6966 Remote Similarity NPC46895
0.6963 Remote Similarity NPC61038
0.6959 Remote Similarity NPC114637
0.6943 Remote Similarity NPC23215
0.6941 Remote Similarity NPC478184
0.6928 Remote Similarity NPC281094
0.691 Remote Similarity NPC102755
0.6906 Remote Similarity NPC103119
0.6906 Remote Similarity NPC75544
0.6883 Remote Similarity NPC313823
0.6882 Remote Similarity NPC242116
0.6854 Remote Similarity NPC470677
0.6851 Remote Similarity NPC473946
0.6848 Remote Similarity NPC304203
0.6845 Remote Similarity NPC81535
0.6836 Remote Similarity NPC11126
0.6833 Remote Similarity NPC474258
0.6831 Remote Similarity NPC476460
0.6823 Remote Similarity NPC143075
0.6821 Remote Similarity NPC207866
0.6806 Remote Similarity NPC175602
0.6802 Remote Similarity NPC42372
0.6802 Remote Similarity NPC115232
0.6802 Remote Similarity NPC71132
0.6796 Remote Similarity NPC118084
0.6791 Remote Similarity NPC477041
0.6791 Remote Similarity NPC477044
0.6789 Remote Similarity NPC476252
0.6776 Remote Similarity NPC469489
0.6771 Remote Similarity NPC475410
0.6771 Remote Similarity NPC469577
0.6765 Remote Similarity NPC293487
0.6761 Remote Similarity NPC293216
0.6757 Remote Similarity NPC326422
0.6755 Remote Similarity NPC48564
0.6755 Remote Similarity NPC265605
0.6755 Remote Similarity NPC182570
0.6754 Remote Similarity NPC469563
0.6744 Remote Similarity NPC478182
0.674 Remote Similarity NPC295158
0.6738 Remote Similarity NPC106824
0.6721 Remote Similarity NPC255909
0.6703 Remote Similarity NPC472292
0.6685 Remote Similarity NPC84827
0.6685 Remote Similarity NPC145885
0.6685 Remote Similarity NPC228835
0.6685 Remote Similarity NPC14113
0.6684 Remote Similarity NPC477413
0.6667 Remote Similarity NPC32002
0.6667 Remote Similarity NPC110126
0.6667 Remote Similarity NPC56233
0.6667 Remote Similarity NPC237414
0.6667 Remote Similarity NPC41717
0.6667 Remote Similarity NPC139763
0.6667 Remote Similarity NPC315348
0.6667 Remote Similarity NPC477045
0.6667 Remote Similarity NPC284338
0.6649 Remote Similarity NPC469578
0.6646 Remote Similarity NPC190296
0.6631 Remote Similarity NPC202812
0.6623 Remote Similarity NPC27740
0.6615 Remote Similarity NPC317701
0.6615 Remote Similarity NPC138562
0.6614 Remote Similarity NPC34837
0.6613 Remote Similarity NPC47190
0.6596 Remote Similarity NPC472293
0.6593 Remote Similarity NPC467063
0.6591 Remote Similarity NPC471943
0.6591 Remote Similarity NPC91895
0.659 Remote Similarity NPC478185
0.6585 Remote Similarity NPC129412
0.6585 Remote Similarity NPC101130
0.6585 Remote Similarity NPC58268
0.6585 Remote Similarity NPC114033
0.6582 Remote Similarity NPC220594
0.6582 Remote Similarity NPC469562
0.658 Remote Similarity NPC477043
0.6579 Remote Similarity NPC477004
0.6571 Remote Similarity NPC478183
0.6566 Remote Similarity NPC314372
0.6564 Remote Similarity NPC73767
0.6562 Remote Similarity NPC472063
0.6562 Remote Similarity NPC472062
0.6562 Remote Similarity NPC472069
0.6561 Remote Similarity NPC471589
0.6561 Remote Similarity NPC134657
0.6557 Remote Similarity NPC133003
0.6557 Remote Similarity NPC308931
0.6557 Remote Similarity NPC99939
0.6556 Remote Similarity NPC248041
0.6556 Remote Similarity NPC126709
0.655 Remote Similarity NPC169586
0.6545 Remote Similarity NPC136002
0.6543 Remote Similarity NPC150259
0.6543 Remote Similarity NPC105127
0.6543 Remote Similarity NPC84911
0.6543 Remote Similarity NPC135950
0.6541 Remote Similarity NPC209917
0.6538 Remote Similarity NPC159125
0.6536 Remote Similarity NPC267885
0.6536 Remote Similarity NPC151635
0.6533 Remote Similarity NPC476566
0.6533 Remote Similarity NPC291389
0.6532 Remote Similarity NPC473706
0.6524 Remote Similarity NPC238499
0.6517 Remote Similarity NPC252572
0.6515 Remote Similarity NPC110182
0.6508 Remote Similarity NPC128244
0.65 Remote Similarity NPC330326
0.6497 Remote Similarity NPC65080
0.6497 Remote Similarity NPC32534
0.6492 Remote Similarity NPC472297
0.6492 Remote Similarity NPC472296
0.6492 Remote Similarity NPC103361
0.6492 Remote Similarity NPC123395
0.6486 Remote Similarity NPC17059
0.6485 Remote Similarity NPC476454
0.6481 Remote Similarity NPC98156
0.6481 Remote Similarity NPC14448
0.6481 Remote Similarity NPC292434
0.6481 Remote Similarity NPC200397
0.6481 Remote Similarity NPC167200
0.6481 Remote Similarity NPC195704
0.6481 Remote Similarity NPC138596
0.6481 Remote Similarity NPC261195
0.6481 Remote Similarity NPC64661
0.6481 Remote Similarity NPC29886
0.6481 Remote Similarity NPC96102
0.648 Remote Similarity NPC110500
0.648 Remote Similarity NPC203468
0.648 Remote Similarity NPC149155
0.6477 Remote Similarity NPC57398
0.6474 Remote Similarity NPC477591

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC102664 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
0.75 Intermediate Similarity NPD4524 Discontinued
0.743 Intermediate Similarity NPD4848 Phase 1
0.7341 Intermediate Similarity NPD4011 Clinical (unspecified phase)
0.7283 Intermediate Similarity NPD1291 Clinical (unspecified phase)
0.7255 Intermediate Similarity NPD1627 Clinical (unspecified phase)
0.7202 Intermediate Similarity NPD1568 Clinical (unspecified phase)
0.7099 Intermediate Similarity NPD1270 Approved
0.7073 Intermediate Similarity NPD9343 Clinical (unspecified phase)
0.707 Intermediate Similarity NPD201 Phase 2
0.707 Intermediate Similarity NPD200 Phase 2
0.7062 Intermediate Similarity NPD3607 Clinical (unspecified phase)
0.7052 Intermediate Similarity NPD1586 Approved
0.7018 Intermediate Similarity NPD1343 Approved
0.6989 Remote Similarity NPD3927 Phase 2
0.6964 Remote Similarity NPD1630 Approved
0.6961 Remote Similarity NPD1905 Clinical (unspecified phase)
0.6944 Remote Similarity NPD4988 Discontinued
0.6943 Remote Similarity NPD272 Approved
0.6932 Remote Similarity NPD1587 Approved
0.6875 Remote Similarity NPD569 Clinical (unspecified phase)
0.6857 Remote Similarity NPD4736 Clinical (unspecified phase)
0.6851 Remote Similarity NPD2770 Discontinued
0.6845 Remote Similarity NPD276 Clinical (unspecified phase)
0.6842 Remote Similarity NPD1631 Approved
0.6842 Remote Similarity NPD4299 Phase 1
0.6842 Remote Similarity NPD6288 Clinical (unspecified phase)
0.68 Remote Similarity NPD750 Phase 2
0.6784 Remote Similarity NPD5400 Approved
0.678 Remote Similarity NPD2753 Discontinued
0.6774 Remote Similarity NPD1851 Clinical (unspecified phase)
0.6772 Remote Similarity NPD5017 Discontinued
0.6765 Remote Similarity NPD2214 Approved
0.6765 Remote Similarity NPD2213 Approved
0.676 Remote Similarity NPD3178 Discontinued
0.6757 Remote Similarity NPD4348 Clinical (unspecified phase)
0.6755 Remote Similarity NPD268 Approved
0.6755 Remote Similarity NPD270 Clinical (unspecified phase)
0.6755 Remote Similarity NPD271 Approved
0.6723 Remote Similarity NPD3238 Discontinued
0.6722 Remote Similarity NPD7401 Clinical (unspecified phase)
0.6711 Remote Similarity NPD748 Clinical (unspecified phase)
0.6707 Remote Similarity NPD751 Clinical (unspecified phase)
0.6704 Remote Similarity NPD1643 Phase 3
0.6703 Remote Similarity NPD4426 Clinical (unspecified phase)
0.6688 Remote Similarity NPD3476 Approved
0.6688 Remote Similarity NPD3475 Approved
0.6686 Remote Similarity NPD1575 Approved
0.6686 Remote Similarity NPD1573 Approved
0.6667 Remote Similarity NPD2072 Approved
0.6667 Remote Similarity NPD2073 Approved
0.6667 Remote Similarity NPD2075 Approved
0.6667 Remote Similarity NPD175 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2074 Approved
0.6667 Remote Similarity NPD768 Clinical (unspecified phase)
0.665 Remote Similarity NPD6787 Phase 2
0.6649 Remote Similarity NPD6180 Clinical (unspecified phase)
0.6647 Remote Similarity NPD1545 Discontinued
0.6629 Remote Similarity NPD4385 Clinical (unspecified phase)
0.6629 Remote Similarity NPD1292 Clinical (unspecified phase)
0.6627 Remote Similarity NPD180 Clinical (unspecified phase)
0.6626 Remote Similarity NPD9599 Approved
0.6623 Remote Similarity NPD9357 Approved
0.6615 Remote Similarity NPD7704 Clinical (unspecified phase)
0.6603 Remote Similarity NPD2118 Approved
0.6603 Remote Similarity NPD992 Clinical (unspecified phase)
0.6603 Remote Similarity NPD991 Phase 2
0.6603 Remote Similarity NPD2119 Approved
0.6595 Remote Similarity NPD5685 Approved
0.6595 Remote Similarity NPD5686 Approved
0.6593 Remote Similarity NPD7564 Discontinued
0.6587 Remote Similarity NPD1005 Phase 2
0.6587 Remote Similarity NPD1004 Phase 2
0.6578 Remote Similarity NPD460 Discontinued
0.6571 Remote Similarity NPD4643 Clinical (unspecified phase)
0.6568 Remote Similarity NPD5965 Clinical (unspecified phase)
0.6562 Remote Similarity NPD4924 Clinical (unspecified phase)
0.6561 Remote Similarity NPD1031 Discontinued
0.6554 Remote Similarity NPD485 Clinical (unspecified phase)
0.655 Remote Similarity NPD473 Clinical (unspecified phase)
0.6548 Remote Similarity NPD3100 Discontinued
0.6545 Remote Similarity NPD8248 Clinical (unspecified phase)
0.6538 Remote Similarity NPD9583 Approved
0.6536 Remote Similarity NPD6471 Clinical (unspecified phase)
0.6536 Remote Similarity NPD749 Clinical (unspecified phase)
0.6536 Remote Similarity NPD4075 Phase 2
0.6532 Remote Similarity NPD6454 Clinical (unspecified phase)
0.6528 Remote Similarity NPD4304 Discovery
0.6526 Remote Similarity NPD7204 Clinical (unspecified phase)
0.6524 Remote Similarity NPD4922 Phase 2
0.6522 Remote Similarity NPD6217 Discontinued
0.6522 Remote Similarity NPD5820 Clinical (unspecified phase)
0.6519 Remote Similarity NPD5473 Discontinued
0.6508 Remote Similarity NPD2290 Phase 3
0.6508 Remote Similarity NPD2289 Phase 3
0.65 Remote Similarity NPD9100 Approved
0.6495 Remote Similarity NPD3947 Discontinued
0.6494 Remote Similarity NPD4384 Clinical (unspecified phase)
0.6484 Remote Similarity NPD1783 Clinical (unspecified phase)
0.6481 Remote Similarity NPD198 Clinical (unspecified phase)
0.648 Remote Similarity NPD482 Approved
0.648 Remote Similarity NPD5421 Clinical (unspecified phase)
0.6477 Remote Similarity NPD4174 Clinical (unspecified phase)
0.6471 Remote Similarity NPD1658 Discontinued
0.6463 Remote Similarity NPD786 Approved
0.6461 Remote Similarity NPD5472 Clinical (unspecified phase)
0.646 Remote Similarity NPD4028 Approved
0.646 Remote Similarity NPD4029 Approved
0.646 Remote Similarity NPD4030 Approved
0.6457 Remote Similarity NPD3583 Phase 2
0.6447 Remote Similarity NPD1600 Suspended
0.6429 Remote Similarity NPD2479 Phase 3
0.6429 Remote Similarity NPD2481 Approved
0.6416 Remote Similarity NPD2865 Clinical (unspecified phase)
0.6413 Remote Similarity NPD1096 Discontinued
0.64 Remote Similarity NPD6771 Discontinued
0.6395 Remote Similarity NPD2061 Approved
0.6395 Remote Similarity NPD2165 Phase 1
0.6392 Remote Similarity NPD2881 Approved
0.6392 Remote Similarity NPD2879 Approved
0.6391 Remote Similarity NPD4547 Phase 3
0.6391 Remote Similarity NPD4702 Approved
0.6391 Remote Similarity NPD4703 Approved
0.6387 Remote Similarity NPD1952 Discontinued
0.6386 Remote Similarity NPD1722 Approved
0.6384 Remote Similarity NPD6446 Discontinued
0.6384 Remote Similarity NPD3929 Clinical (unspecified phase)
0.6383 Remote Similarity NPD2336 Approved
0.6382 Remote Similarity NPD9396 Approved
0.6382 Remote Similarity NPD9392 Approved
0.638 Remote Similarity NPD206 Clinical (unspecified phase)
0.6378 Remote Similarity NPD2008 Discontinued
0.6369 Remote Similarity NPD3347 Clinical (unspecified phase)
0.6358 Remote Similarity NPD3114 Approved
0.6358 Remote Similarity NPD3944 Approved
0.6358 Remote Similarity NPD3112 Approved
0.6358 Remote Similarity NPD3113 Approved
0.6358 Remote Similarity NPD3942 Approved
0.6358 Remote Similarity NPD3115 Approved
0.6354 Remote Similarity NPD5471 Phase 3
0.6354 Remote Similarity NPD7402 Clinical (unspecified phase)
0.6353 Remote Similarity NPD4374 Clinical (unspecified phase)
0.6346 Remote Similarity NPD4845 Discontinued
0.6345 Remote Similarity NPD1506 Discontinued
0.6337 Remote Similarity NPD4851 Clinical (unspecified phase)
0.633 Remote Similarity NPD3870 Clinical (unspecified phase)
0.633 Remote Similarity NPD3871 Clinical (unspecified phase)
0.6327 Remote Similarity NPD5901 Discontinued
0.6321 Remote Similarity NPD6137 Clinical (unspecified phase)
0.6312 Remote Similarity NPD3654 Approved
0.631 Remote Similarity NPD3961 Discontinued
0.631 Remote Similarity NPD3246 Discontinued
0.6305 Remote Similarity NPD6710 Phase 3
0.6303 Remote Similarity NPD2896 Discontinued
0.6298 Remote Similarity NPD4883 Approved
0.6287 Remote Similarity NPD5020 Approved
0.6283 Remote Similarity NPD7618 Phase 3
0.6283 Remote Similarity NPD7619 Phase 3
0.6278 Remote Similarity NPD3117 Approved
0.6278 Remote Similarity NPD3116 Approved
0.6277 Remote Similarity NPD6068 Discontinued
0.627 Remote Similarity NPD5728 Clinical (unspecified phase)
0.627 Remote Similarity NPD2095 Phase 2
0.627 Remote Similarity NPD2094 Phase 2
0.627 Remote Similarity NPD2092 Phase 2
0.6269 Remote Similarity NPD2411 Approved
0.6269 Remote Similarity NPD6954 Phase 2
0.6264 Remote Similarity NPD6044 Discontinued
0.6263 Remote Similarity NPD3905 Phase 3
0.6263 Remote Similarity NPD3840 Phase 2
0.6263 Remote Similarity NPD3839 Phase 2
0.6258 Remote Similarity NPD3385 Approved
0.6257 Remote Similarity NPD4638 Approved
0.6257 Remote Similarity NPD4640 Approved
0.6257 Remote Similarity NPD4639 Approved
0.6257 Remote Similarity NPD5809 Phase 3
0.625 Remote Similarity NPD2307 Discontinued
0.625 Remote Similarity NPD269 Clinical (unspecified phase)
0.625 Remote Similarity NPD2006 Phase 2
0.6244 Remote Similarity NPD6987 Phase 1
0.6243 Remote Similarity NPD2837 Discontinued
0.6243 Remote Similarity NPD3339 Approved
0.6238 Remote Similarity NPD2823 Clinical (unspecified phase)
0.6237 Remote Similarity NPD2096 Phase 2
0.6237 Remote Similarity NPD2405 Phase 3
0.6237 Remote Similarity NPD2091 Phase 2
0.6236 Remote Similarity NPD2915 Discontinued
0.6235 Remote Similarity NPD803 Phase 1
0.6231 Remote Similarity NPD6459 Phase 2
0.6229 Remote Similarity NPD6497 Approved
0.6222 Remote Similarity NPD4973 Approved
0.6219 Remote Similarity NPD6152 Phase 1
0.6212 Remote Similarity NPD3967 Approved
0.6205 Remote Similarity NPD1380 Discovery
0.6205 Remote Similarity NPD2305 Discontinued
0.619 Remote Similarity NPD7175 Phase 1
0.6188 Remote Similarity NPD1598 Discontinued
0.6185 Remote Similarity NPD510 Phase 1
0.6183 Remote Similarity NPD3320 Approved
0.6183 Remote Similarity NPD3318 Approved
0.6183 Remote Similarity NPD3319 Phase 1

Structure

External Identifiers

PubChem CID   3756
ChEMBL   CHEMBL447517
ZINC  

Physicochemical Properties

Molecular Weight:  235.05
ALogP:  -0.5711
MLogP:  2.12
XLogP:  0.75
# Rotatable Bonds:  3
Polar Surface Area:  60.38
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  16

Download Data

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