Natural Product: NPC14223

Natural Product ID:  NPC14223
Common Name:   1-Methylpyrrole
IUPAC Name:   1-methylpyrrole
Synonyms:  
Molecular Formula:   C5H7N
Standard InCHIKey:  OXHNLMTVIGZXSG-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3
Canonical SMILES:  Cn1cccc1
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
NPO17691 Santalum album Species Santalaceae Eukaryota TCMSP*
NPO16501 Capsicum annuum Species Solanaceae Eukaryota TM-MC*
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[17314143]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency 54482.7 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 NPC14223 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
0.8778 High Similarity NPC196580
0.76 Intermediate Similarity NPC83987
0.7333 Intermediate Similarity NPC231655
0.7333 Intermediate Similarity NPC76540
0.713 Intermediate Similarity NPC27802
0.7043 Intermediate Similarity NPC182570
0.7043 Intermediate Similarity NPC265605
0.7043 Intermediate Similarity NPC48564
0.6937 Remote Similarity NPC473901
0.6847 Remote Similarity NPC235843
0.6842 Remote Similarity NPC471402
0.6842 Remote Similarity NPC297486
0.6842 Remote Similarity NPC240136
0.6721 Remote Similarity NPC71236
0.6667 Remote Similarity NPC84268
0.6583 Remote Similarity NPC27740
0.6581 Remote Similarity NPC11863
0.6496 Remote Similarity NPC91958
0.6496 Remote Similarity NPC143603
0.6446 Remote Similarity NPC476322
0.6417 Remote Similarity NPC56856
0.6364 Remote Similarity NPC290094
0.6357 Remote Similarity NPC150259
0.6357 Remote Similarity NPC472288
0.6262 Remote Similarity NPC213774
0.6231 Remote Similarity NPC65408
0.623 Remote Similarity NPC46358
0.622 Remote Similarity NPC82295
0.621 Remote Similarity NPC202957
0.621 Remote Similarity NPC169625
0.6202 Remote Similarity NPC291517
0.619 Remote Similarity NPC476131
0.6172 Remote Similarity NPC194541
0.616 Remote Similarity NPC471313
0.616 Remote Similarity NPC212125
0.616 Remote Similarity NPC471311
0.6154 Remote Similarity NPC261195
0.6154 Remote Similarity NPC29886
0.6148 Remote Similarity NPC329825
0.6142 Remote Similarity NPC69914
0.6136 Remote Similarity NPC110126
0.6136 Remote Similarity NPC73767
0.6129 Remote Similarity NPC151489
0.6129 Remote Similarity NPC245244
0.6129 Remote Similarity NPC146373
0.6129 Remote Similarity NPC166424
0.6111 Remote Similarity NPC89490
0.6107 Remote Similarity NPC84911
0.608 Remote Similarity NPC135488
0.6077 Remote Similarity NPC23215
0.6063 Remote Similarity NPC329896
0.6063 Remote Similarity NPC475105
0.6063 Remote Similarity NPC475090
0.6061 Remote Similarity NPC104049
0.6032 Remote Similarity NPC165370
0.6032 Remote Similarity NPC306397
0.6031 Remote Similarity NPC96102
0.5985 Remote Similarity NPC105127
0.5984 Remote Similarity NPC313823
0.5984 Remote Similarity NPC471589
0.597 Remote Similarity NPC469767
0.597 Remote Similarity NPC469768
0.597 Remote Similarity NPC469761
0.597 Remote Similarity NPC469779
0.597 Remote Similarity NPC469783
0.597 Remote Similarity NPC469784
0.597 Remote Similarity NPC469780
0.5969 Remote Similarity NPC324611
0.5969 Remote Similarity NPC471322
0.5941 Remote Similarity NPC76536
0.5926 Remote Similarity NPC469766
0.5926 Remote Similarity NPC197068
0.5922 Remote Similarity NPC326364
0.5917 Remote Similarity NPC476566
0.5891 Remote Similarity NPC315320
0.5891 Remote Similarity NPC282398
0.5882 Remote Similarity NPC190296
0.5865 Remote Similarity NPC251722
0.5865 Remote Similarity NPC314102
0.5857 Remote Similarity NPC40070
0.5854 Remote Similarity NPC117928
0.5852 Remote Similarity NPC230002
0.5852 Remote Similarity NPC279081
0.5846 Remote Similarity NPC256893
0.5846 Remote Similarity NPC174421
0.5846 Remote Similarity NPC101165
0.5825 Remote Similarity NPC277608
0.5825 Remote Similarity NPC262236
0.5816 Remote Similarity NPC472260
0.5809 Remote Similarity NPC476454
0.5802 Remote Similarity NPC322488
0.5802 Remote Similarity NPC330326
0.5797 Remote Similarity NPC314372
0.5797 Remote Similarity NPC285731
0.5789 Remote Similarity NPC100312
0.5778 Remote Similarity NPC32002
0.5778 Remote Similarity NPC316811
0.5778 Remote Similarity NPC315348
0.5746 Remote Similarity NPC471312
0.5729 Remote Similarity NPC270637
0.5725 Remote Similarity NPC159630
0.5725 Remote Similarity NPC230085
0.5714 Remote Similarity NPC470111
0.5714 Remote Similarity NPC471957
0.5714 Remote Similarity NPC179787
0.5714 Remote Similarity NPC201380
0.5704 Remote Similarity NPC470233
0.5688 Remote Similarity NPC476128
0.5683 Remote Similarity NPC159856
0.5674 Remote Similarity NPC321911
0.5672 Remote Similarity NPC328029
0.5672 Remote Similarity NPC29702
0.5664 Remote Similarity NPC200214
0.5655 Remote Similarity NPC129721
0.5643 Remote Similarity NPC316069
0.5643 Remote Similarity NPC288838
0.5643 Remote Similarity NPC143872
0.5643 Remote Similarity NPC63545
0.5634 Remote Similarity NPC24678
0.5634 Remote Similarity NPC53947
0.5634 Remote Similarity NPC105818
0.563 Remote Similarity NPC114310
0.5625 Remote Similarity NPC204104
0.5625 Remote Similarity NPC187191
0.5625 Remote Similarity NPC326248
0.5625 Remote Similarity NPC34844
0.5616 Remote Similarity NPC477591
0.5615 Remote Similarity NPC287895
0.5603 Remote Similarity NPC469811
0.5603 Remote Similarity NPC477974

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC14223 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
0.7333 Intermediate Similarity NPD9098 Phase 3
0.7333 Intermediate Similarity NPD9099 Clinical (unspecified phase)
0.7315 Intermediate Similarity NPD4823 Approved
0.7315 Intermediate Similarity NPD4824 Approved
0.7043 Intermediate Similarity NPD271 Approved
0.7043 Intermediate Similarity NPD268 Approved
0.7043 Intermediate Similarity NPD270 Clinical (unspecified phase)
0.6897 Remote Similarity NPD9598 Discontinued
0.6814 Remote Similarity NPD269 Clinical (unspecified phase)
0.6777 Remote Similarity NPD1031 Discontinued
0.6696 Remote Similarity NPD9392 Approved
0.6696 Remote Similarity NPD9396 Approved
0.6667 Remote Similarity NPD60 Approved
0.6552 Remote Similarity NPD8840 Approved
0.6532 Remote Similarity NPD3475 Approved
0.6532 Remote Similarity NPD3476 Approved
0.6417 Remote Similarity NPD748 Clinical (unspecified phase)
0.6349 Remote Similarity NPD803 Phase 1
0.6311 Remote Similarity NPD9357 Approved
0.629 Remote Similarity NPD2118 Approved
0.629 Remote Similarity NPD2119 Approved
0.6279 Remote Similarity NPD206 Clinical (unspecified phase)
0.626 Remote Similarity NPD174 Discontinued
0.6231 Remote Similarity NPD200 Phase 2
0.6231 Remote Similarity NPD201 Phase 2
0.621 Remote Similarity NPD9583 Approved
0.616 Remote Similarity NPD9284 Approved
0.6124 Remote Similarity NPD4029 Approved
0.6124 Remote Similarity NPD4030 Approved
0.6124 Remote Similarity NPD4028 Approved
0.6047 Remote Similarity NPD1993 Approved
0.6047 Remote Similarity NPD1994 Approved
0.6047 Remote Similarity NPD1995 Approved
0.6032 Remote Similarity NPD9080 Approved
0.6032 Remote Similarity NPD992 Clinical (unspecified phase)
0.6032 Remote Similarity NPD991 Phase 2
0.6032 Remote Similarity NPD1598 Discontinued
0.6031 Remote Similarity NPD198 Clinical (unspecified phase)
0.6022 Remote Similarity NPD8625 Phase 3
0.6016 Remote Similarity NPD715 Phase 3
0.6015 Remote Similarity NPD786 Approved
0.6 Remote Similarity NPD3942 Approved
0.6 Remote Similarity NPD3944 Approved
0.5984 Remote Similarity NPD1095 Clinical (unspecified phase)
0.5969 Remote Similarity NPD809 Discontinued
0.5954 Remote Similarity NPD272 Approved
0.5954 Remote Similarity NPD2142 Approved
0.5954 Remote Similarity NPD2140 Approved
0.5954 Remote Similarity NPD2141 Approved
0.5942 Remote Similarity NPD4547 Phase 3
0.5938 Remote Similarity NPD9305 Clinical (unspecified phase)
0.5938 Remote Similarity NPD3654 Approved
0.5923 Remote Similarity NPD1627 Clinical (unspecified phase)
0.5909 Remote Similarity NPD490 Clinical (unspecified phase)
0.5896 Remote Similarity NPD768 Clinical (unspecified phase)
0.5896 Remote Similarity NPD4804 Approved
0.5891 Remote Similarity NPD9206 Approved
0.5891 Remote Similarity NPD9207 Approved
0.5882 Remote Similarity NPD2006 Phase 2
0.5846 Remote Similarity NPD9726 Discontinued
0.5839 Remote Similarity NPD649 Clinical (unspecified phase)
0.5827 Remote Similarity NPD2089 Clinical (unspecified phase)
0.5809 Remote Similarity NPD1722 Approved
0.5809 Remote Similarity NPD4805 Approved
0.5802 Remote Similarity NPD9100 Approved
0.5797 Remote Similarity NPD1365 Approved
0.5797 Remote Similarity NPD1364 Approved
0.5797 Remote Similarity NPD1366 Approved
0.5789 Remote Similarity NPD792 Discontinued
0.5786 Remote Similarity NPD3100 Discontinued
0.578 Remote Similarity NPD9472 Phase 3
0.5778 Remote Similarity NPD2069 Approved
0.5778 Remote Similarity NPD2075 Approved
0.5778 Remote Similarity NPD2068 Approved
0.5778 Remote Similarity NPD2073 Approved
0.5778 Remote Similarity NPD2071 Approved
0.5778 Remote Similarity NPD2070 Approved
0.5778 Remote Similarity NPD2074 Approved
0.5778 Remote Similarity NPD2072 Approved
0.5758 Remote Similarity NPD3385 Approved
0.5735 Remote Similarity NPD165 Phase 2
0.5735 Remote Similarity NPD2222 Discontinued
0.5734 Remote Similarity NPD4436 Clinical (unspecified phase)
0.5704 Remote Similarity NPD1380 Discovery
0.5694 Remote Similarity NPD2580 Discontinued
0.5694 Remote Similarity NPD473 Clinical (unspecified phase)
0.5674 Remote Similarity NPD2430 Phase 2
0.5662 Remote Similarity NPD945 Clinical (unspecified phase)
0.5652 Remote Similarity NPD3717 Discontinued
0.5645 Remote Similarity NPD306 Approved
0.5634 Remote Similarity NPD2172 Phase 1
0.563 Remote Similarity NPD9506 Approved
0.562 Remote Similarity NPD9599 Approved
0.562 Remote Similarity NPD1649 Discontinued
0.562 Remote Similarity NPD1395 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   7304
ChEMBL   CHEMBL1234459
ZINC  

Physicochemical Properties

Molecular Weight:  81.06
ALogP:  0.1155
MLogP:  1.9
XLogP:  1.061
# Rotatable Bonds:  1
Polar Surface Area:  4.93
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  6

Download Data

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