Natural Product: NPC194541

Natural Product ID:  NPC194541
Common Name:   1H-Pyrrole-3-Carboxylic Acid
IUPAC Name:   1H-pyrrole-3-carboxylic acid
Synonyms:  
Molecular Formula:   C5H5NO2
Standard InCHIKey:  DOYOPBSXEIZLRE-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C5H5NO2/c7-5(8)4-1-2-6-3-4/h1-3,6H,(H,7,8)
Canonical SMILES:  OC(=O)c1c[nH]cc1
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
NPO16076 Penicillium chrysogenum Species Aspergillaceae Eukaryota mycelium PMID[21381678]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Inhibition = 46 % 1310117

  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 NPC194541 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
0.7639 Intermediate Similarity NPC114310
0.753 Intermediate Similarity NPC278434
0.7517 Intermediate Similarity NPC167400
0.7516 Intermediate Similarity NPC33229
0.7105 Intermediate Similarity NPC159630
0.7105 Intermediate Similarity NPC230085
0.7044 Intermediate Similarity NPC113812
0.7006 Intermediate Similarity NPC312860
0.6994 Remote Similarity NPC138370
0.6988 Remote Similarity NPC476419
0.6968 Remote Similarity NPC112741
0.6962 Remote Similarity NPC263455
0.696 Remote Similarity NPC196580
0.6846 Remote Similarity NPC62151
0.6839 Remote Similarity NPC83111
0.6792 Remote Similarity NPC107287
0.6779 Remote Similarity NPC314646
0.6765 Remote Similarity NPC317010
0.6707 Remote Similarity NPC273532
0.6707 Remote Similarity NPC302647
0.6667 Remote Similarity NPC322488
0.6645 Remote Similarity NPC29702
0.6609 Remote Similarity NPC311282
0.6592 Remote Similarity NPC202812
0.6582 Remote Similarity NPC302159
0.6579 Remote Similarity NPC23215
0.6579 Remote Similarity NPC291517
0.6554 Remote Similarity NPC154339
0.6554 Remote Similarity NPC306397
0.6533 Remote Similarity NPC327941
0.6505 Remote Similarity NPC82053
0.6485 Remote Similarity NPC131718
0.6471 Remote Similarity NPC183777
0.6467 Remote Similarity NPC42372
0.6467 Remote Similarity NPC233380
0.6453 Remote Similarity NPC111275
0.6444 Remote Similarity NPC267343
0.6443 Remote Similarity NPC74360
0.6436 Remote Similarity NPC171787
0.6429 Remote Similarity NPC41717
0.642 Remote Similarity NPC282103
0.6407 Remote Similarity NPC102423
0.64 Remote Similarity NPC471589
0.6392 Remote Similarity NPC141385
0.6364 Remote Similarity NPC212742
0.6333 Remote Similarity NPC212125
0.6333 Remote Similarity NPC165370
0.6302 Remote Similarity NPC219087
0.6265 Remote Similarity NPC213914
0.6243 Remote Similarity NPC293216
0.6242 Remote Similarity NPC75135
0.6237 Remote Similarity NPC213308
0.6235 Remote Similarity NPC105811
0.6234 Remote Similarity NPC330326
0.6229 Remote Similarity NPC164340
0.6222 Remote Similarity NPC209917
0.6216 Remote Similarity NPC474916
0.6213 Remote Similarity NPC162268
0.6205 Remote Similarity NPC169586
0.6203 Remote Similarity NPC471944
0.6199 Remote Similarity NPC78020
0.6196 Remote Similarity NPC77061
0.6196 Remote Similarity NPC13432
0.6185 Remote Similarity NPC313791
0.6175 Remote Similarity NPC473821
0.6172 Remote Similarity NPC14223
0.6162 Remote Similarity NPC156704
0.6162 Remote Similarity NPC74153
0.6159 Remote Similarity NPC52110
0.6158 Remote Similarity NPC71037
0.615 Remote Similarity NPC229893
0.6145 Remote Similarity NPC209362
0.6145 Remote Similarity NPC280290
0.6136 Remote Similarity NPC55772
0.6127 Remote Similarity NPC249614
0.6115 Remote Similarity NPC328029
0.6111 Remote Similarity NPC467188
0.6111 Remote Similarity NPC159856
0.6094 Remote Similarity NPC266249
0.6089 Remote Similarity NPC207851
0.6089 Remote Similarity NPC477003
0.6082 Remote Similarity NPC41333
0.6082 Remote Similarity NPC82370
0.608 Remote Similarity NPC276657
0.608 Remote Similarity NPC284775
0.6075 Remote Similarity NPC90229
0.6067 Remote Similarity NPC470677
0.6064 Remote Similarity NPC45459
0.6064 Remote Similarity NPC315491
0.6057 Remote Similarity NPC149155
0.6057 Remote Similarity NPC203468
0.6057 Remote Similarity NPC110500
0.6056 Remote Similarity NPC295158
0.6048 Remote Similarity NPC229055
0.6043 Remote Similarity NPC131887
0.6036 Remote Similarity NPC474492
0.6031 Remote Similarity NPC123839
0.6027 Remote Similarity NPC291389
0.6023 Remote Similarity NPC267885
0.6022 Remote Similarity NPC315555
0.6012 Remote Similarity NPC74357
0.6 Remote Similarity NPC110158
0.5989 Remote Similarity NPC96890
0.5989 Remote Similarity NPC184964
0.5988 Remote Similarity NPC251391
0.5976 Remote Similarity NPC138018
0.5975 Remote Similarity NPC472288
0.5964 Remote Similarity NPC105818
0.5964 Remote Similarity NPC471655
0.5964 Remote Similarity NPC24678
0.5957 Remote Similarity NPC67288
0.5956 Remote Similarity NPC44354
0.5955 Remote Similarity NPC283219
0.5955 Remote Similarity NPC126709
0.5955 Remote Similarity NPC248041
0.5955 Remote Similarity NPC213468
0.5949 Remote Similarity NPC309845
0.5944 Remote Similarity NPC469358
0.5943 Remote Similarity NPC253810
0.5941 Remote Similarity NPC230869
0.5936 Remote Similarity NPC109922
0.5935 Remote Similarity NPC71236
0.5933 Remote Similarity NPC15566
0.593 Remote Similarity NPC27041
0.593 Remote Similarity NPC472285
0.5928 Remote Similarity NPC70406
0.5926 Remote Similarity NPC103361
0.5915 Remote Similarity NPC314372
0.5906 Remote Similarity NPC470680
0.5906 Remote Similarity NPC100104
0.5904 Remote Similarity NPC78767
0.5904 Remote Similarity NPC473814
0.5902 Remote Similarity NPC46580
0.5892 Remote Similarity NPC114974
0.5892 Remote Similarity NPC476460
0.589 Remote Similarity NPC190296
0.5882 Remote Similarity NPC151489
0.5882 Remote Similarity NPC135950
0.5882 Remote Similarity NPC93390
0.5879 Remote Similarity NPC314002
0.5876 Remote Similarity NPC88008
0.5873 Remote Similarity NPC317672
0.5872 Remote Similarity NPC242116
0.587 Remote Similarity NPC221873
0.5868 Remote Similarity NPC313889
0.5866 Remote Similarity NPC276540
0.5866 Remote Similarity NPC233050
0.5856 Remote Similarity NPC220765
0.5847 Remote Similarity NPC62749
0.5833 Remote Similarity NPC109158
0.5824 Remote Similarity NPC204717
0.581 Remote Similarity NPC219848
0.581 Remote Similarity NPC182222
0.5808 Remote Similarity NPC110182
0.5808 Remote Similarity NPC123906
0.5805 Remote Similarity NPC474383
0.5803 Remote Similarity NPC98715
0.5802 Remote Similarity NPC85443
0.5801 Remote Similarity NPC191415
0.5801 Remote Similarity NPC275292
0.5801 Remote Similarity NPC243381
0.5799 Remote Similarity NPC259644
0.5799 Remote Similarity NPC469760
0.5799 Remote Similarity NPC469765
0.5799 Remote Similarity NPC73952
0.5799 Remote Similarity NPC469763
0.5799 Remote Similarity NPC25008
0.5799 Remote Similarity NPC469786
0.5798 Remote Similarity NPC146724
0.5796 Remote Similarity NPC315320
0.5789 Remote Similarity NPC469762
0.5789 Remote Similarity NPC207686
0.5789 Remote Similarity NPC27296
0.5778 Remote Similarity NPC256268
0.5778 Remote Similarity NPC42979
0.5771 Remote Similarity NPC114637
0.5769 Remote Similarity NPC102755
0.5769 Remote Similarity NPC48938
0.5765 Remote Similarity NPC70922
0.5765 Remote Similarity NPC211572
0.5765 Remote Similarity NPC75540
0.5765 Remote Similarity NPC80597
0.5765 Remote Similarity NPC212376
0.5761 Remote Similarity NPC171171
0.5761 Remote Similarity NPC235684
0.5759 Remote Similarity NPC293917
0.5759 Remote Similarity NPC82295
0.5759 Remote Similarity NPC174421
0.5758 Remote Similarity NPC471323
0.5756 Remote Similarity NPC92796
0.5756 Remote Similarity NPC135141
0.5754 Remote Similarity NPC224764
0.5753 Remote Similarity NPC469489
0.5751 Remote Similarity NPC57398
0.5747 Remote Similarity NPC274981
0.5747 Remote Similarity NPC311276
0.5746 Remote Similarity NPC477042
0.5745 Remote Similarity NPC304203
0.5745 Remote Similarity NPC326422
0.5745 Remote Similarity NPC88315

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC194541 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
0.7517 Intermediate Similarity NPD9074 Approved
0.7517 Intermediate Similarity NPD9075 Approved
0.7248 Intermediate Similarity NPD107 Approved
0.7024 Intermediate Similarity NPD3178 Discontinued
0.7 Intermediate Similarity NPD203 Clinical (unspecified phase)
0.6968 Remote Similarity NPD9271 Approved
0.6667 Remote Similarity NPD820 Phase 3
0.6576 Remote Similarity NPD2121 Clinical (unspecified phase)
0.6554 Remote Similarity NPD9080 Approved
0.6444 Remote Similarity NPD1173 Approved
0.6437 Remote Similarity NPD1783 Clinical (unspecified phase)
0.6436 Remote Similarity NPD2509 Approved
0.6436 Remote Similarity NPD2510 Approved
0.6402 Remote Similarity NPD276 Clinical (unspecified phase)
0.6364 Remote Similarity NPD5901 Discontinued
0.6333 Remote Similarity NPD9284 Approved
0.6271 Remote Similarity NPD1096 Discontinued
0.6243 Remote Similarity NPD4559 Clinical (unspecified phase)
0.6242 Remote Similarity NPD2061 Approved
0.6234 Remote Similarity NPD9100 Approved
0.6205 Remote Similarity NPD3393 Approved
0.6205 Remote Similarity NPD3389 Approved
0.6205 Remote Similarity NPD3394 Approved
0.6164 Remote Similarity NPD9599 Approved
0.6154 Remote Similarity NPD272 Approved
0.6136 Remote Similarity NPD8304 Clinical (unspecified phase)
0.6105 Remote Similarity NPD944 Approved
0.6076 Remote Similarity NPD9506 Approved
0.6064 Remote Similarity NPD484 Approved
0.6064 Remote Similarity NPD8248 Clinical (unspecified phase)
0.6057 Remote Similarity NPD482 Approved
0.6054 Remote Similarity NPD5975 Clinical (unspecified phase)
0.6051 Remote Similarity NPD3916 Clinical (unspecified phase)
0.6051 Remote Similarity NPD3918 Approved
0.6051 Remote Similarity NPD3917 Approved
0.6034 Remote Similarity NPD485 Clinical (unspecified phase)
0.6033 Remote Similarity NPD6665 Discontinued
0.6024 Remote Similarity NPD510 Phase 1
0.6023 Remote Similarity NPD749 Clinical (unspecified phase)
0.6021 Remote Similarity NPD3947 Discontinued
0.6011 Remote Similarity NPD1618 Phase 2
0.6 Remote Similarity NPD3915 Approved
0.6 Remote Similarity NPD569 Clinical (unspecified phase)
0.6 Remote Similarity NPD2096 Phase 2
0.6 Remote Similarity NPD2091 Phase 2
0.5989 Remote Similarity NPD4948 Discontinued
0.5977 Remote Similarity NPD1573 Approved
0.5977 Remote Similarity NPD1575 Approved
0.5966 Remote Similarity NPD5065 Approved
0.5963 Remote Similarity NPD1649 Discontinued
0.5944 Remote Similarity NPD2094 Phase 2
0.5944 Remote Similarity NPD2095 Phase 2
0.5944 Remote Similarity NPD2092 Phase 2
0.5941 Remote Similarity NPD704 Clinical (unspecified phase)
0.5938 Remote Similarity NPD2896 Discontinued
0.593 Remote Similarity NPD5088 Discontinued
0.5928 Remote Similarity NPD5965 Clinical (unspecified phase)
0.5915 Remote Similarity NPD175 Clinical (unspecified phase)
0.5892 Remote Similarity NPD5592 Clinical (unspecified phase)
0.586 Remote Similarity NPD4376 Phase 3
0.586 Remote Similarity NPD981 Phase 2
0.5856 Remote Similarity NPD5728 Clinical (unspecified phase)
0.5855 Remote Similarity NPD7396 Approved
0.5854 Remote Similarity NPD1352 Discontinued
0.5843 Remote Similarity NPD1270 Approved
0.5842 Remote Similarity NPD6137 Clinical (unspecified phase)
0.5838 Remote Similarity NPD1631 Approved
0.5838 Remote Similarity NPD5475 Discontinued
0.5829 Remote Similarity NPD460 Discontinued
0.58 Remote Similarity NPD5490 Discontinued
0.5796 Remote Similarity NPD9206 Approved
0.5796 Remote Similarity NPD9207 Approved
0.5787 Remote Similarity NPD4883 Approved
0.5779 Remote Similarity NPD3794 Approved
0.5779 Remote Similarity NPD3795 Approved
0.5764 Remote Similarity NPD245 Suspended
0.5759 Remote Similarity NPD7621 Clinical (unspecified phase)
0.5758 Remote Similarity NPD3813 Approved
0.5746 Remote Similarity NPD1643 Phase 3
0.5746 Remote Similarity NPD1291 Clinical (unspecified phase)
0.5743 Remote Similarity NPD269 Clinical (unspecified phase)
0.5742 Remote Similarity NPD9081 Clinical (unspecified phase)
0.573 Remote Similarity NPD750 Phase 2
0.5729 Remote Similarity NPD8096 Phase 3
0.5729 Remote Similarity NPD8097 Phase 3
0.5728 Remote Similarity NPD7269 Clinical (unspecified phase)
0.5714 Remote Similarity NPD1568 Clinical (unspecified phase)
0.5714 Remote Similarity NPD3371 Approved
0.5714 Remote Similarity NPD6838 Clinical (unspecified phase)
0.5698 Remote Similarity NPD5322 Clinical (unspecified phase)
0.5692 Remote Similarity NPD6987 Phase 1
0.5676 Remote Similarity NPD706 Phase 1
0.5665 Remote Similarity NPD1630 Approved
0.5663 Remote Similarity NPD4862 Clinical (unspecified phase)
0.5657 Remote Similarity NPD5140 Approved
0.5657 Remote Similarity NPD5138 Approved
0.5652 Remote Similarity NPD3607 Clinical (unspecified phase)
0.5652 Remote Similarity NPD3569 Discontinued
0.565 Remote Similarity NPD5069 Clinical (unspecified phase)
0.565 Remote Similarity NPD2844 Phase 3
0.565 Remote Similarity NPD8093 Discontinued
0.5638 Remote Similarity NPD2336 Approved
0.5638 Remote Similarity NPD6180 Clinical (unspecified phase)
0.5636 Remote Similarity NPD1592 Phase 3
0.5636 Remote Similarity NPD5020 Approved
0.5628 Remote Similarity NPD7998 Clinical (unspecified phase)
0.5625 Remote Similarity NPD1627 Clinical (unspecified phase)
0.5622 Remote Similarity NPD8094 Discontinued
0.5617 Remote Similarity NPD198 Clinical (unspecified phase)
0.5614 Remote Similarity NPD180 Clinical (unspecified phase)
0.561 Remote Similarity NPD3280 Approved
0.5608 Remote Similarity NPD2127 Suspended
0.5604 Remote Similarity NPD6173 Approved
0.56 Remote Similarity NPD7470 Discontinued

Structure

External Identifiers

PubChem CID   101030
ChEMBL   CHEMBL79155
ZINC  

Physicochemical Properties

Molecular Weight:  111.03
ALogP:  -0.6602
MLogP:  1.68
XLogP:  0.488
# Rotatable Bonds:  2
Polar Surface Area:  53.09
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  8

Download Data

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Similar NPs/Drugs