Natural Product: NPC315498

Natural Product ID:  NPC315498
Common Name:   (3,4,8B-Trimethyl-2,3A-Dihydro-1H-Pyrrolo[2,3-B]Indol-7-Yl) N-Methylcarbamate
IUPAC Name:   (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl) N-methylcarbamate
Synonyms:  
Molecular Formula:   C15H21N3O2
Standard InCHIKey:  PIJVFDBKTWXHHD-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)
Canonical SMILES:  CN=C(Oc1ccc2c(c1)C1(C)CCN(C1N2C)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
NPO228 Physostigma venenosum Species Fabaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT48 Individual Protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 35481.3 nM PubChem BioAssay data set
NPT55 Individual Protein Putative fructose-1,6-bisphosphate aldolase Giardia intestinalis Potency = 50000 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29855.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 23715 nM PubChem BioAssay data set
NPT49 Individual Protein DNA-(apurinic or apyrimidinic site) lyase Homo sapiens Potency 100000 nM PubChem BioAssay data set

  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 NPC315498 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 NPC230942
0.961 High Similarity NPC85482
0.9103 High Similarity NPC70172
0.7866 Intermediate Similarity NPC469428
0.7633 Intermediate Similarity NPC24954
0.7444 Intermediate Similarity NPC21425
0.7363 Intermediate Similarity NPC473569
0.7363 Intermediate Similarity NPC5630
0.7287 Intermediate Similarity NPC127178
0.7243 Intermediate Similarity NPC307963
0.7196 Intermediate Similarity NPC138830
0.7143 Intermediate Similarity NPC33507
0.7135 Intermediate Similarity NPC225857
0.7135 Intermediate Similarity NPC475147
0.7135 Intermediate Similarity NPC22476
0.7135 Intermediate Similarity NPC92111
0.7127 Intermediate Similarity NPC176127
0.7127 Intermediate Similarity NPC98197
0.712 Intermediate Similarity NPC217294
0.712 Intermediate Similarity NPC477186
0.7111 Intermediate Similarity NPC287588
0.7097 Intermediate Similarity NPC204970
0.7097 Intermediate Similarity NPC79213
0.7081 Intermediate Similarity NPC76748
0.7059 Intermediate Similarity NPC203972
0.7056 Intermediate Similarity NPC119722
0.7049 Intermediate Similarity NPC249405
0.7035 Intermediate Similarity NPC78733
0.7027 Intermediate Similarity NPC296527
0.7016 Intermediate Similarity NPC25897
0.6995 Remote Similarity NPC475774
0.6995 Remote Similarity NPC179704
0.699 Remote Similarity NPC168250
0.699 Remote Similarity NPC475133
0.6989 Remote Similarity NPC474904
0.6984 Remote Similarity NPC251090
0.6971 Remote Similarity NPC97072
0.6971 Remote Similarity NPC215829
0.6959 Remote Similarity NPC470484
0.6954 Remote Similarity NPC93653
0.6954 Remote Similarity NPC269449
0.695 Remote Similarity NPC234772
0.6947 Remote Similarity NPC161804
0.6931 Remote Similarity NPC243626
0.6923 Remote Similarity NPC472111
0.6919 Remote Similarity NPC82541
0.6906 Remote Similarity NPC285941
0.6898 Remote Similarity NPC174629
0.6898 Remote Similarity NPC312531
0.6897 Remote Similarity NPC471122
0.6895 Remote Similarity NPC162653
0.6884 Remote Similarity NPC127996
0.6879 Remote Similarity NPC315257
0.6878 Remote Similarity NPC302001
0.6872 Remote Similarity NPC87714
0.6868 Remote Similarity NPC94174
0.6862 Remote Similarity NPC203628
0.6862 Remote Similarity NPC470483
0.6856 Remote Similarity NPC52801
0.6847 Remote Similarity NPC288110
0.6839 Remote Similarity NPC329793
0.6837 Remote Similarity NPC195787
0.6837 Remote Similarity NPC246140
0.6833 Remote Similarity NPC82533
0.6833 Remote Similarity NPC290759
0.6833 Remote Similarity NPC158148
0.6833 Remote Similarity NPC266176
0.6832 Remote Similarity NPC126556
0.6831 Remote Similarity NPC85613
0.6831 Remote Similarity NPC5167
0.6829 Remote Similarity NPC7018
0.6828 Remote Similarity NPC276674
0.6828 Remote Similarity NPC33902
0.6825 Remote Similarity NPC473004
0.6823 Remote Similarity NPC100863
0.6821 Remote Similarity NPC223124
0.6813 Remote Similarity NPC471321
0.6813 Remote Similarity NPC471306
0.6809 Remote Similarity NPC474059
0.6805 Remote Similarity NPC146370
0.6802 Remote Similarity NPC13397
0.68 Remote Similarity NPC472098
0.6796 Remote Similarity NPC311991
0.6789 Remote Similarity NPC470485
0.6784 Remote Similarity NPC475959
0.6774 Remote Similarity NPC53596
0.6774 Remote Similarity NPC471308
0.6774 Remote Similarity NPC17388
0.6774 Remote Similarity NPC289330
0.6774 Remote Similarity NPC160120
0.6769 Remote Similarity NPC474077
0.6768 Remote Similarity NPC476465
0.6766 Remote Similarity NPC473006
0.6758 Remote Similarity NPC470739
0.6758 Remote Similarity NPC225597
0.6758 Remote Similarity NPC477640
0.6755 Remote Similarity NPC264782
0.6753 Remote Similarity NPC67904
0.6752 Remote Similarity NPC471314
0.6752 Remote Similarity NPC471315
0.6751 Remote Similarity NPC261388
0.6751 Remote Similarity NPC474145
0.6751 Remote Similarity NPC475841
0.6743 Remote Similarity NPC93593
0.6742 Remote Similarity NPC471124
0.674 Remote Similarity NPC475686
0.674 Remote Similarity NPC58766
0.674 Remote Similarity NPC477185
0.6739 Remote Similarity NPC70092
0.6738 Remote Similarity NPC171171
0.6736 Remote Similarity NPC71124
0.6734 Remote Similarity NPC469589
0.6724 Remote Similarity NPC210148
0.6724 Remote Similarity NPC233029
0.6724 Remote Similarity NPC148898
0.6722 Remote Similarity NPC476002
0.6721 Remote Similarity NPC477187
0.6719 Remote Similarity NPC303214
0.6717 Remote Similarity NPC478075
0.6716 Remote Similarity NPC159815
0.6705 Remote Similarity NPC223125
0.6705 Remote Similarity NPC219383
0.6705 Remote Similarity NPC147091
0.6704 Remote Similarity NPC320104
0.6703 Remote Similarity NPC270301
0.6703 Remote Similarity NPC474475
0.6703 Remote Similarity NPC190461
0.6702 Remote Similarity NPC254957
0.6701 Remote Similarity NPC14339
0.6699 Remote Similarity NPC46259
0.6686 Remote Similarity NPC318086
0.6686 Remote Similarity NPC292003
0.6685 Remote Similarity NPC471604
0.6685 Remote Similarity NPC100566
0.6684 Remote Similarity NPC272706
0.6684 Remote Similarity NPC314002
0.6684 Remote Similarity NPC472191
0.6684 Remote Similarity NPC473007
0.6683 Remote Similarity NPC108826
0.6683 Remote Similarity NPC478074
0.6667 Remote Similarity NPC68650
0.6667 Remote Similarity NPC198401
0.6667 Remote Similarity NPC320088
0.6667 Remote Similarity NPC230313
0.6667 Remote Similarity NPC176538
0.6667 Remote Similarity NPC65403
0.6667 Remote Similarity NPC160193
0.665 Remote Similarity NPC223427
0.665 Remote Similarity NPC318525
0.665 Remote Similarity NPC10653
0.6649 Remote Similarity NPC132874
0.6649 Remote Similarity NPC474470
0.6649 Remote Similarity NPC138615
0.6649 Remote Similarity NPC218733
0.6649 Remote Similarity NPC283999
0.6649 Remote Similarity NPC265642
0.6646 Remote Similarity NPC172403
0.6634 Remote Similarity NPC94157
0.6634 Remote Similarity NPC96321
0.6633 Remote Similarity NPC295676
0.6633 Remote Similarity NPC232600
0.6631 Remote Similarity NPC84478
0.6631 Remote Similarity NPC204717
0.663 Remote Similarity NPC228040
0.6619 Remote Similarity NPC473458
0.6618 Remote Similarity NPC128476
0.6617 Remote Similarity NPC471304
0.6615 Remote Similarity NPC5374
0.6613 Remote Similarity NPC15919
0.6612 Remote Similarity NPC75958
0.661 Remote Similarity NPC263709
0.661 Remote Similarity NPC97380
0.661 Remote Similarity NPC234392
0.661 Remote Similarity NPC31311
0.661 Remote Similarity NPC243673
0.661 Remote Similarity NPC310403
0.661 Remote Similarity NPC63210
0.661 Remote Similarity NPC148468
0.6608 Remote Similarity NPC185838
0.6607 Remote Similarity NPC314682
0.6602 Remote Similarity NPC222046
0.6602 Remote Similarity NPC219397
0.6601 Remote Similarity NPC471080
0.6601 Remote Similarity NPC469592
0.6601 Remote Similarity NPC266931
0.66 Remote Similarity NPC82548
0.66 Remote Similarity NPC317709
0.66 Remote Similarity NPC329329
0.6593 Remote Similarity NPC310894
0.6593 Remote Similarity NPC190332
0.6593 Remote Similarity NPC181653
0.6592 Remote Similarity NPC139506
0.6592 Remote Similarity NPC292143
0.6585 Remote Similarity NPC195636
0.6582 Remote Similarity NPC234197
0.658 Remote Similarity NPC131017
0.6578 Remote Similarity NPC220765
0.6578 Remote Similarity NPC244554
0.6575 Remote Similarity NPC247972
0.6571 Remote Similarity NPC26872

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC315498 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
1.0 High Similarity NPD1743 Approved
1.0 High Similarity NPD1742 Approved
1.0 High Similarity NPD19 Approved
0.9867 High Similarity NPD4796 Discontinued
0.9737 High Similarity NPD3984 Clinical (unspecified phase)
0.9737 High Similarity NPD3983 Phase 3
0.9193 High Similarity NPD7149 Clinical (unspecified phase)
0.8659 High Similarity NPD5600 Discontinued
0.7515 Intermediate Similarity NPD814 Clinical (unspecified phase)
0.7423 Intermediate Similarity NPD1305 Clinical (unspecified phase)
0.7305 Intermediate Similarity NPD950 Clinical (unspecified phase)
0.7243 Intermediate Similarity NPD1038 Approved
0.7216 Intermediate Similarity NPD6365 Clinical (unspecified phase)
0.7193 Intermediate Similarity NPD6738 Phase 2
0.7193 Intermediate Similarity NPD6737 Phase 2
0.7166 Intermediate Similarity NPD5582 Discontinued
0.7159 Intermediate Similarity NPD5680 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD6344 Clinical (unspecified phase)
0.7112 Intermediate Similarity NPD4418 Discontinued
0.7095 Intermediate Similarity NPD5810 Discontinued
0.7093 Intermediate Similarity NPD6060 Clinical (unspecified phase)
0.7056 Intermediate Similarity NPD795 Clinical (unspecified phase)
0.7056 Intermediate Similarity NPD7479 Phase 2
0.7045 Intermediate Similarity NPD4986 Clinical (unspecified phase)
0.7029 Intermediate Similarity NPD2190 Approved
0.7006 Intermediate Similarity NPD3141 Discontinued
0.7 Intermediate Similarity NPD5670 Approved
0.6983 Remote Similarity NPD5966 Clinical (unspecified phase)
0.6968 Remote Similarity NPD1304 Clinical (unspecified phase)
0.6966 Remote Similarity NPD4083 Discontinued
0.6959 Remote Similarity NPD5811 Approved
0.6959 Remote Similarity NPD6357 Discontinued
0.6952 Remote Similarity NPD6656 Clinical (unspecified phase)
0.6949 Remote Similarity NPD6457 Approved
0.6949 Remote Similarity NPD6379 Discontinued
0.6946 Remote Similarity NPD3301 Approved
0.6923 Remote Similarity NPD1421 Approved
0.6923 Remote Similarity NPD1420 Approved
0.6909 Remote Similarity NPD7083 Clinical (unspecified phase)
0.6906 Remote Similarity NPD5334 Clinical (unspecified phase)
0.6902 Remote Similarity NPD5917 Clinical (unspecified phase)
0.6893 Remote Similarity NPD6037 Discontinued
0.6889 Remote Similarity NPD7032 Approved
0.6888 Remote Similarity NPD7452 Approved
0.6888 Remote Similarity NPD7222 Phase 2
0.6888 Remote Similarity NPD7453 Approved
0.6878 Remote Similarity NPD6046 Clinical (unspecified phase)
0.6875 Remote Similarity NPD4118 Clinical (unspecified phase)
0.6875 Remote Similarity NPD6533 Clinical (unspecified phase)
0.6865 Remote Similarity NPD8167 Discontinued
0.6864 Remote Similarity NPD2114 Discontinued
0.6839 Remote Similarity NPD1769 Discontinued
0.6833 Remote Similarity NPD6607 Clinical (unspecified phase)
0.6823 Remote Similarity NPD6877 Discontinued
0.6796 Remote Similarity NPD5602 Clinical (unspecified phase)
0.6792 Remote Similarity NPD7905 Discontinued
0.6792 Remote Similarity NPD850 Approved
0.6792 Remote Similarity NPD848 Approved
0.6792 Remote Similarity NPD849 Approved
0.6776 Remote Similarity NPD5900 Clinical (unspecified phase)
0.6771 Remote Similarity NPD6527 Approved
0.6768 Remote Similarity NPD2187 Approved
0.6768 Remote Similarity NPD2189 Approved
0.6748 Remote Similarity NPD1393 Approved
0.674 Remote Similarity NPD5078 Clinical (unspecified phase)
0.6737 Remote Similarity NPD3633 Approved
0.6737 Remote Similarity NPD3634 Approved
0.6724 Remote Similarity NPD5617 Suspended
0.6721 Remote Similarity NPD5560 Clinical (unspecified phase)
0.6721 Remote Similarity NPD5521 Clinical (unspecified phase)
0.672 Remote Similarity NPD3408 Clinical (unspecified phase)
0.6705 Remote Similarity NPD2842 Clinical (unspecified phase)
0.6703 Remote Similarity NPD4203 Approved
0.6703 Remote Similarity NPD4204 Approved
0.6703 Remote Similarity NPD5938 Phase 3
0.6702 Remote Similarity NPD6526 Approved
0.6702 Remote Similarity NPD7262 Phase 1
0.6683 Remote Similarity NPD5658 Approved
0.6667 Remote Similarity NPD5719 Approved
0.6667 Remote Similarity NPD3324 Clinical (unspecified phase)
0.6649 Remote Similarity NPD2917 Approved
0.6646 Remote Similarity NPD2040 Clinical (unspecified phase)
0.6646 Remote Similarity NPD3623 Clinical (unspecified phase)
0.6646 Remote Similarity NPD3622 Clinical (unspecified phase)
0.663 Remote Similarity NPD5186 Approved
0.663 Remote Similarity NPD5183 Approved
0.6628 Remote Similarity NPD7019 Approved
0.6628 Remote Similarity NPD7020 Approved
0.6615 Remote Similarity NPD5150 Phase 2
0.6611 Remote Similarity NPD2162 Clinical (unspecified phase)
0.6609 Remote Similarity NPD5267 Discontinued
0.6609 Remote Similarity NPD1678 Clinical (unspecified phase)
0.6607 Remote Similarity NPD7753 Approved
0.6607 Remote Similarity NPD7752 Approved
0.66 Remote Similarity NPD4154 Approved
0.6598 Remote Similarity NPD7238 Clinical (unspecified phase)
0.6593 Remote Similarity NPD1078 Clinical (unspecified phase)
0.6592 Remote Similarity NPD3453 Discontinued
0.6591 Remote Similarity NPD2789 Approved
0.6588 Remote Similarity NPD5754 Discontinued
0.6584 Remote Similarity NPD949 Phase 1
0.6582 Remote Similarity NPD6612 Phase 2
0.6581 Remote Similarity NPD254 Approved
0.6578 Remote Similarity NPD6461 Clinical (unspecified phase)
0.6573 Remote Similarity NPD5599 Discontinued
0.6568 Remote Similarity NPD4664 Clinical (unspecified phase)
0.6556 Remote Similarity NPD9376 Approved
0.6555 Remote Similarity NPD5045 Phase 2
0.6555 Remote Similarity NPD7820 Phase 3
0.6554 Remote Similarity NPD3812 Clinical (unspecified phase)
0.6552 Remote Similarity NPD3627 Approved
0.655 Remote Similarity NPD5084 Clinical (unspecified phase)
0.6548 Remote Similarity NPD3156 Discontinued
0.6545 Remote Similarity NPD7630 Phase 3
0.6545 Remote Similarity NPD7628 Phase 3
0.6545 Remote Similarity NPD2845 Phase 2
0.6545 Remote Similarity NPD2843 Phase 2
0.6545 Remote Similarity NPD7629 Clinical (unspecified phase)
0.6543 Remote Similarity NPD7877 Suspended
0.6533 Remote Similarity NPD4036 Approved
0.6533 Remote Similarity NPD4033 Approved
0.6533 Remote Similarity NPD4035 Approved
0.6533 Remote Similarity NPD4122 Approved
0.6533 Remote Similarity NPD4038 Approved
0.6533 Remote Similarity NPD4037 Approved
0.6533 Remote Similarity NPD4034 Approved
0.6533 Remote Similarity NPD32 Approved
0.6533 Remote Similarity NPD31 Approved
0.6533 Remote Similarity NPD4039 Approved
0.6527 Remote Similarity NPD6636 Phase 3
0.6524 Remote Similarity NPD7821 Clinical (unspecified phase)
0.652 Remote Similarity NPD1322 Clinical (unspecified phase)
0.6517 Remote Similarity NPD4859 Phase 1
0.6515 Remote Similarity NPD3515 Approved
0.6515 Remote Similarity NPD3516 Approved
0.6515 Remote Similarity NPD956 Clinical (unspecified phase)
0.6513 Remote Similarity NPD2952 Discontinued
0.6513 Remote Similarity NPD5515 Phase 2
0.651 Remote Similarity NPD5871 Discontinued
0.651 Remote Similarity NPD5641 Discontinued
0.6509 Remote Similarity NPD3656 Approved
0.6497 Remote Similarity NPD4255 Phase 1
0.6497 Remote Similarity NPD1440 Discontinued
0.6494 Remote Similarity NPD1791 Approved
0.6494 Remote Similarity NPD1793 Approved
0.6492 Remote Similarity NPD3349 Phase 2
0.6492 Remote Similarity NPD3398 Discontinued
0.6491 Remote Similarity NPD2387 Approved
0.6488 Remote Similarity NPD5788 Clinical (unspecified phase)
0.6484 Remote Similarity NPD6872 Clinical (unspecified phase)
0.6484 Remote Similarity NPD3511 Discontinued
0.648 Remote Similarity NPD2560 Approved
0.648 Remote Similarity NPD3560 Approved
0.648 Remote Similarity NPD3558 Approved
0.648 Remote Similarity NPD2563 Approved
0.648 Remote Similarity NPD3557 Approved
0.648 Remote Similarity NPD3559 Clinical (unspecified phase)
0.648 Remote Similarity NPD3556 Approved
0.6474 Remote Similarity NPD6339 Approved
0.6474 Remote Similarity NPD6340 Approved
0.6474 Remote Similarity NPD313 Approved
0.6473 Remote Similarity NPD3354 Phase 2
0.6471 Remote Similarity NPD3655 Clinical (unspecified phase)
0.6471 Remote Similarity NPD4597 Approved
0.6471 Remote Similarity NPD4598 Approved
0.6462 Remote Similarity NPD5548 Clinical (unspecified phase)
0.6461 Remote Similarity NPD1861 Discovery
0.646 Remote Similarity NPD6320 Approved
0.6458 Remote Similarity NPD2410 Phase 2
0.6457 Remote Similarity NPD8330 Clinical (unspecified phase)
0.6456 Remote Similarity NPD2667 Approved
0.6456 Remote Similarity NPD2668 Approved
0.6456 Remote Similarity NPD5612 Discontinued
0.6455 Remote Similarity NPD7280 Phase 3
0.6455 Remote Similarity NPD7281 Phase 3
0.6453 Remote Similarity NPD3692 Discontinued
0.6452 Remote Similarity NPD3793 Phase 3
0.645 Remote Similarity NPD4795 Phase 2
0.645 Remote Similarity NPD1422 Approved
0.6448 Remote Similarity NPD5847 Phase 1
0.6447 Remote Similarity NPD6874 Approved
0.6447 Remote Similarity NPD1768 Approved
0.6443 Remote Similarity NPD5575 Clinical (unspecified phase)
0.6443 Remote Similarity NPD3631 Phase 3
0.6442 Remote Similarity NPD3875 Discontinued
0.6438 Remote Similarity NPD2233 Approved
0.6438 Remote Similarity NPD2232 Approved
0.6438 Remote Similarity NPD2230 Approved
0.6436 Remote Similarity NPD3037 Phase 1
0.6429 Remote Similarity NPD6767 Clinical (unspecified phase)
0.6429 Remote Similarity NPD2341 Discontinued
0.6429 Remote Similarity NPD6896 Approved
0.6429 Remote Similarity NPD6895 Approved
0.6425 Remote Similarity NPD5294 Clinical (unspecified phase)
0.6424 Remote Similarity NPD1039 Discontinued
0.6421 Remote Similarity NPD6021 Clinical (unspecified phase)
0.6418 Remote Similarity NPD7174 Clinical (unspecified phase)
0.6418 Remote Similarity NPD5530 Phase 1
0.6418 Remote Similarity NPD3003 Approved
0.6417 Remote Similarity NPD3920 Phase 2

Structure

External Identifiers

PubChem CID   4811
ChEMBL   CHEMBL11773
ZINC  

Physicochemical Properties

Molecular Weight:  275.16
ALogP:  1.1378
MLogP:  2.56
XLogP:  2.677
# Rotatable Bonds:  7
Polar Surface Area:  48.3
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  20

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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