Natural Product: NPC24060

Natural Product ID:  NPC24060
Common Name:   Benzotriazole
IUPAC Name:   2H-benzotriazole
Synonyms:   1H-Benzotriazole; 1H-Benzo[D][1,2,3]Triazole; Benzotriazole
Molecular Formula:   C6H5N3
Standard InCHIKey:  QRUDEWIWKLJBPS-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)
Canonical SMILES:  c1ccc2c(c1)[nH]nn2
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
NPO27297 Mylabris Species Meloidae Eukaryota TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT210 Individual Protein Thyroid stimulating hormone receptor Homo sapiens Potency = 501.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 31622.8 nM PubChem BioAssay data set
NPT249 Individual Protein Glucocorticoid receptor Homo sapiens Potency 4466.8 nM PubChem BioAssay data set
NPT1078 Individual Protein Indoleamine 2,3-dioxygenase Homo sapiens IC50 = 2570000 nM 21925773
NPT102 Individual Protein Interleukin-8 Homo sapiens Potency 74978 nM PubChem BioAssay data set
NPT1835 Individual Protein AMP-activated protein kinase, alpha-2 subunit Rattus norvegicus Activity = 87.5 % 23750537
NPT1836 Individual Protein Egl nine homolog 3 Homo sapiens IC50 > 100000 nM 10.1039/C3MD00117B
NPT2 Others Unspecified Potency 54947.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 38900 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29798.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61652.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 53425.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61130.6 nM PubChem BioAssay data set
NPT162 Individual Protein Heat shock protein beta-1 Homo sapiens Potency 48972.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 12301.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 48972.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 68589.6 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 54947.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54482.7 nM PubChem BioAssay data set
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 59944.2 nM PubChem BioAssay data set
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 54947.7 nM PubChem BioAssay data set
NPT74 Individual Protein Proto-oncogene c-JUN Homo sapiens Potency 24544.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6859 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24544.2 nM PubChem BioAssay data set
NPT71 Cell Line HEK293 Homo sapiens Survival = 99.7 % 26048799
NPT2 Others Unspecified Inhibition = 3.6 % 26048799
NPT83 Cell Line MCF7 Homo sapiens Survival = 103.9 % 26048799
NPT82 Cell Line MDA-MB-231 Homo sapiens Survival = 102.7 % 26048799
NPT365 Individual Protein NAD(P)H dehydrogenase [quinone] 1 Mus musculus Ratio = 1.2 26048799

  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 NPC24060 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
0.8142 Intermediate Similarity NPC317031
0.6942 Remote Similarity NPC143156
0.6866 Remote Similarity NPC216159
0.6852 Remote Similarity NPC92689
0.6641 Remote Similarity NPC41174
0.6633 Remote Similarity NPC271732
0.6609 Remote Similarity NPC321915
0.6571 Remote Similarity NPC42483
0.6535 Remote Similarity NPC301874
0.6439 Remote Similarity NPC75999
0.6439 Remote Similarity NPC250361
0.6435 Remote Similarity NPC317642
0.6429 Remote Similarity NPC115611
0.6429 Remote Similarity NPC284635
0.6389 Remote Similarity NPC114209
0.637 Remote Similarity NPC22079
0.6343 Remote Similarity NPC473762
0.6306 Remote Similarity NPC173991
0.6304 Remote Similarity NPC198988
0.6296 Remote Similarity NPC473587
0.6259 Remote Similarity NPC325252
0.6259 Remote Similarity NPC218268
0.625 Remote Similarity NPC475428
0.6239 Remote Similarity NPC213774
0.6207 Remote Similarity NPC63545
0.6204 Remote Similarity NPC82295
0.6204 Remote Similarity NPC179365
0.6204 Remote Similarity NPC475450
0.6164 Remote Similarity NPC469811
0.6164 Remote Similarity NPC201380
0.6164 Remote Similarity NPC179787
0.6159 Remote Similarity NPC473930
0.6143 Remote Similarity NPC96102
0.6127 Remote Similarity NPC88097
0.6122 Remote Similarity NPC321911
0.6117 Remote Similarity NPC66775
0.6099 Remote Similarity NPC125746
0.6099 Remote Similarity NPC84911
0.6099 Remote Similarity NPC105127
0.6055 Remote Similarity NPC15839
0.6028 Remote Similarity NPC261195
0.6028 Remote Similarity NPC29886
0.6019 Remote Similarity NPC307456
0.6014 Remote Similarity NPC73767
0.6014 Remote Similarity NPC110126
0.6 Remote Similarity NPC325903
0.5975 Remote Similarity NPC471579
0.5972 Remote Similarity NPC469780
0.5972 Remote Similarity NPC469761
0.5972 Remote Similarity NPC2949
0.5972 Remote Similarity NPC469767
0.5972 Remote Similarity NPC279081
0.5972 Remote Similarity NPC469783
0.5972 Remote Similarity NPC469768
0.5972 Remote Similarity NPC59084
0.5972 Remote Similarity NPC230002
0.5972 Remote Similarity NPC469784
0.5972 Remote Similarity NPC469779
0.5948 Remote Similarity NPC300238
0.5946 Remote Similarity NPC229477
0.5931 Remote Similarity NPC63157
0.5931 Remote Similarity NPC473868
0.5931 Remote Similarity NPC88121
0.5931 Remote Similarity NPC469766
0.5923 Remote Similarity NPC148140
0.5918 Remote Similarity NPC470440
0.5918 Remote Similarity NPC204141
0.5909 Remote Similarity NPC134825
0.5903 Remote Similarity NPC312092
0.589 Remote Similarity NPC190296
0.5882 Remote Similarity NPC273714
0.5882 Remote Similarity NPC236711
0.5882 Remote Similarity NPC69277
0.5878 Remote Similarity NPC81561
0.585 Remote Similarity NPC242556
0.5841 Remote Similarity NPC262295
0.584 Remote Similarity NPC302790
0.584 Remote Similarity NPC231655
0.5839 Remote Similarity NPC151779
0.5833 Remote Similarity NPC162689
0.5833 Remote Similarity NPC54102
0.5826 Remote Similarity NPC191444
0.5811 Remote Similarity NPC314372
0.5811 Remote Similarity NPC159856
0.5806 Remote Similarity NPC470204
0.5806 Remote Similarity NPC122141
0.5772 Remote Similarity NPC143872
0.5772 Remote Similarity NPC288838
0.5769 Remote Similarity NPC470203
0.5755 Remote Similarity NPC287895
0.5752 Remote Similarity NPC476219
0.5752 Remote Similarity NPC476297
0.5746 Remote Similarity NPC215519
0.5739 Remote Similarity NPC315403
0.5739 Remote Similarity NPC176858
0.5733 Remote Similarity NPC471957
0.5733 Remote Similarity NPC477134
0.5733 Remote Similarity NPC21605
0.5732 Remote Similarity NPC317105
0.5714 Remote Similarity NPC314557
0.5702 Remote Similarity NPC43655
0.5696 Remote Similarity NPC274229
0.5695 Remote Similarity NPC124005
0.5695 Remote Similarity NPC37548
0.5695 Remote Similarity NPC2272
0.5695 Remote Similarity NPC288445
0.5678 Remote Similarity NPC476483
0.5667 Remote Similarity NPC316069
0.5667 Remote Similarity NPC478186
0.5658 Remote Similarity NPC33421
0.5658 Remote Similarity NPC53947
0.5658 Remote Similarity NPC24678
0.5658 Remote Similarity NPC148592
0.5658 Remote Similarity NPC105818
0.5652 Remote Similarity NPC30445
0.5652 Remote Similarity NPC111233
0.5644 Remote Similarity NPC315715
0.5635 Remote Similarity NPC37584
0.5629 Remote Similarity NPC470111
0.5625 Remote Similarity NPC475707
0.5621 Remote Similarity NPC470233
0.5621 Remote Similarity NPC470823
0.5621 Remote Similarity NPC216713
0.562 Remote Similarity NPC46358
0.5615 Remote Similarity NPC314141
0.5615 Remote Similarity NPC296163
0.5603 Remote Similarity NPC107135
0.5603 Remote Similarity NPC240134
0.56 Remote Similarity NPC313362

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC24060 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
0.748 Intermediate Similarity NPD9253 Clinical (unspecified phase)
0.6642 Remote Similarity NPD2139 Approved
0.6609 Remote Similarity NPD8860 Approved
0.6609 Remote Similarity NPD8863 Approved
0.6571 Remote Similarity NPD9724 Phase 1
0.6412 Remote Similarity NPD9293 Clinical (unspecified phase)
0.6372 Remote Similarity NPD463 Approved
0.6372 Remote Similarity NPD462 Approved
0.6372 Remote Similarity NPD464 Approved
0.6338 Remote Similarity NPD9254 Phase 3
0.6183 Remote Similarity NPD9598 Discontinued
0.6178 Remote Similarity NPD1472 Clinical (unspecified phase)
0.6176 Remote Similarity NPD9305 Clinical (unspecified phase)
0.6154 Remote Similarity NPD9270 Clinical (unspecified phase)
0.6143 Remote Similarity NPD198 Clinical (unspecified phase)
0.6136 Remote Similarity NPD1561 Phase 2
0.6107 Remote Similarity NPD4811 Discontinued
0.6099 Remote Similarity NPD1262 Discovery
0.6078 Remote Similarity NPD3523 Clinical (unspecified phase)
0.6067 Remote Similarity NPD948 Phase 3
0.6047 Remote Similarity NPD153 Clinical (unspecified phase)
0.6016 Remote Similarity NPD458 Approved
0.6016 Remote Similarity NPD445 Discontinued
0.6015 Remote Similarity NPD5787 Discontinued
0.6014 Remote Similarity NPD786 Approved
0.5987 Remote Similarity NPD1192 Clinical (unspecified phase)
0.5973 Remote Similarity NPD9709 Approved
0.5973 Remote Similarity NPD9708 Approved
0.5972 Remote Similarity NPD3943 Clinical (unspecified phase)
0.5931 Remote Similarity NPD416 Approved
0.5931 Remote Similarity NPD1722 Approved
0.5921 Remote Similarity NPD2927 Phase 3
0.5878 Remote Similarity NPD9396 Approved
0.5878 Remote Similarity NPD9392 Approved
0.5874 Remote Similarity NPD544 Clinical (unspecified phase)
0.5865 Remote Similarity NPD9543 Approved
0.5865 Remote Similarity NPD1236 Phase 3
0.586 Remote Similarity NPD2392 Clinical (unspecified phase)
0.586 Remote Similarity NPD2478 Clinical (unspecified phase)
0.5857 Remote Similarity NPD803 Phase 1
0.5854 Remote Similarity NPD156 Phase 3
0.585 Remote Similarity NPD5254 Discontinued
0.584 Remote Similarity NPD9098 Phase 3
0.584 Remote Similarity NPD9099 Clinical (unspecified phase)
0.5827 Remote Similarity NPD3654 Approved
0.5827 Remote Similarity NPD947 Approved
0.5823 Remote Similarity NPD773 Approved
0.5823 Remote Similarity NPD1921 Clinical (unspecified phase)
0.5822 Remote Similarity NPD3834 Clinical (unspecified phase)
0.5822 Remote Similarity NPD1592 Phase 3
0.5813 Remote Similarity NPD3868 Phase 1
0.5806 Remote Similarity NPD990 Approved
0.5806 Remote Similarity NPD993 Approved
0.5798 Remote Similarity NPD9352 Approved
0.5786 Remote Similarity NPD715 Phase 3
0.5782 Remote Similarity NPD4637 Clinical (unspecified phase)
0.5772 Remote Similarity NPD1683 Approved
0.5752 Remote Similarity NPD976 Approved
0.5752 Remote Similarity NPD975 Approved
0.5752 Remote Similarity NPD977 Approved
0.5739 Remote Similarity NPD9108 Approved
0.5724 Remote Similarity NPD2662 Approved
0.5724 Remote Similarity NPD2128 Phase 1
0.5724 Remote Similarity NPD2660 Approved
0.5705 Remote Similarity NPD9703 Approved
0.5702 Remote Similarity NPD9353 Approved
0.5696 Remote Similarity NPD509 Phase 3
0.5695 Remote Similarity NPD4374 Clinical (unspecified phase)
0.5695 Remote Similarity NPD3100 Discontinued
0.5695 Remote Similarity NPD3852 Clinical (unspecified phase)
0.5686 Remote Similarity NPD737 Phase 2
0.5683 Remote Similarity NPD992 Clinical (unspecified phase)
0.5683 Remote Similarity NPD991 Phase 2
0.5679 Remote Similarity NPD1569 Phase 2
0.5678 Remote Similarity NPD1394 Approved
0.5676 Remote Similarity NPD2006 Phase 2
0.5667 Remote Similarity NPD1528 Clinical (unspecified phase)
0.5664 Remote Similarity NPD3385 Approved
0.5658 Remote Similarity NPD3833 Phase 3
0.5658 Remote Similarity NPD4463 Approved
0.5658 Remote Similarity NPD4462 Approved
0.5658 Remote Similarity NPD2172 Phase 1
0.5658 Remote Similarity NPD3835 Phase 3
0.5649 Remote Similarity NPD224 Phase 2
0.5644 Remote Similarity NPD4332 Phase 3
0.5638 Remote Similarity NPD1918 Clinical (unspecified phase)
0.5636 Remote Similarity NPD5146 Suspended
0.5636 Remote Similarity NPD4050 Phase 1
0.5634 Remote Similarity NPD1251 Discontinued
0.563 Remote Similarity NPD9188 Approved
0.563 Remote Similarity NPD665 Phase 2
0.5625 Remote Similarity NPD4880 Discontinued
0.5625 Remote Similarity NPD4320 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   7220
ChEMBL   CHEMBL84963
ZINC  

Physicochemical Properties

Molecular Weight:  119.05
ALogP:  -0.4204
MLogP:  1.79
XLogP:  1.957
# Rotatable Bonds:  0
Polar Surface Area:  41.57
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  9

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Similar NPs/Drugs