Natural Product: NPC9336

Natural Product ID:  NPC9336
Common Name:   Metacetamol
IUPAC Name:   N-(3-hydroxyphenyl)acetamide
Synonyms:   BS-749; Metacetamol
Molecular Formula:   C8H9NO2
Standard InCHIKey:  QLNWXBAGRTUKKI-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C8H9NO2/c1-6(10)9-7-3-2-4-8(11)5-7/h2-5,11H,1H3,(H,9,10)
Canonical SMILES:  Oc1cccc(c1)N=C(O)C
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
NPO10639 Olibanun NA NA NA TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT137 Cell Line L1210 Mus musculus Activity < 15 % 16279782
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 4610.9 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 18526 nM PubChem BioAssay data set
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 100000 nM PubChem BioAssay data set
NPT99 Individual Protein Peroxisome proliferator-activated receptor gamma Homo sapiens Potency 70794.6 nM PubChem BioAssay data set
NPT208 Individual Protein Cytochrome P450 1A2 Homo sapiens IC50 = 2000 nM DrugMatrix in vitro pharmacology data
NPT888 Individual Protein 78 kDa glucose-regulated protein Homo sapiens Potency 10000 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 1458.1 nM PubChem BioAssay data set
NPT100 Individual Protein Glutaminase kidney isoform, mitochondrial Homo sapiens Potency 11220.2 nM PubChem BioAssay data set
NPT100 Individual Protein Glutaminase kidney isoform, mitochondrial Homo sapiens Potency 8912.5 nM PubChem BioAssay data set
NPT101 Individual Protein Glucagon-like peptide 1 receptor Homo sapiens Potency 11220.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6513.1 nM PubChem BioAssay data set
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 66.39 % 23571415
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 79.17 % 23571415
NPT1107 Organism Mycobacterium smegmatis str. MC2 155 Mycobacterium smegmatis str. MC2 155 MIC > 600000 nM 10.1039/C3MD00251A
NPT113 Cell Line RAW264.7 Mus musculus GI50 = 5338000 nM 10.1039/C3MD00251A
NPT1108 Organism Mycobacterium bovis BCG Mycobacterium bovis BCG MIC > 661000 nM 10.1039/C3MD00251A
NPT790 Organism Mycobacterium tuberculosis H37Rv Mycobacterium tuberculosis H37Rv MIC > 661000 nM 10.1039/C3MD00251A
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 1940.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 483.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15089 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 6007 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 12589.3 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 54205.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24430.2 nM PubChem BioAssay data set
NPT241 Individual Protein Cytochrome P450 2E1 Homo sapiens Ki = 9500000 nM 22613176
NPT241 Individual Protein Cytochrome P450 2E1 Homo sapiens Activity = 43.7 % 22613176
NPT241 Individual Protein Cytochrome P450 2E1 Homo sapiens Activity = 91.3 % 22613176
NPT241 Individual Protein Cytochrome P450 2E1 Homo sapiens Activity = 64.8 % 22613176
NPT241 Individual Protein Cytochrome P450 2E1 Homo sapiens Activity = 65.7 % 22613176
NPT241 Individual Protein Cytochrome P450 2E1 Homo sapiens Activity = 89.3 % 22613176
NPT241 Individual Protein Cytochrome P450 2E1 Homo sapiens Activity = 97.6 % 22613176
NPT2 Others Unspecified Potency 213.1 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 631 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 2511.9 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 8912.5 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 NPC9336 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
0.9143 High Similarity NPC76327
0.8972 High Similarity NPC255721
0.8857 High Similarity NPC256838
0.8158 Intermediate Similarity NPC264782
0.8056 Intermediate Similarity NPC70201
0.7909 Intermediate Similarity NPC311660
0.7895 Intermediate Similarity NPC226914
0.7829 Intermediate Similarity NPC166667
0.7788 Intermediate Similarity NPC44836
0.75 Intermediate Similarity NPC469828
0.7442 Intermediate Similarity NPC313466
0.7417 Intermediate Similarity NPC222982
0.7379 Intermediate Similarity NPC15839
0.7353 Intermediate Similarity NPC307456
0.7281 Intermediate Similarity NPC178902
0.7234 Intermediate Similarity NPC184161
0.7182 Intermediate Similarity NPC476483
0.7165 Intermediate Similarity NPC315632
0.7107 Intermediate Similarity NPC322735
0.7094 Intermediate Similarity NPC231705
0.7049 Intermediate Similarity NPC329190
0.704 Intermediate Similarity NPC321869
0.7034 Intermediate Similarity NPC142297
0.7015 Intermediate Similarity NPC317872
0.7007 Intermediate Similarity NPC314113
0.7 Intermediate Similarity NPC329358
0.6993 Remote Similarity NPC219383
0.695 Remote Similarity NPC315829
0.6944 Remote Similarity NPC36168
0.694 Remote Similarity NPC297584
0.694 Remote Similarity NPC91615
0.6917 Remote Similarity NPC258056
0.6912 Remote Similarity NPC126637
0.6891 Remote Similarity NPC37584
0.6871 Remote Similarity NPC291359
0.686 Remote Similarity NPC474149
0.6857 Remote Similarity NPC323798
0.6846 Remote Similarity NPC205946
0.6846 Remote Similarity NPC325013
0.6842 Remote Similarity NPC473987
0.6838 Remote Similarity NPC122542
0.6833 Remote Similarity NPC96224
0.6833 Remote Similarity NPC24101
0.6818 Remote Similarity NPC197680
0.6818 Remote Similarity NPC259098
0.681 Remote Similarity NPC29601
0.6779 Remote Similarity NPC79911
0.6774 Remote Similarity NPC118202
0.6774 Remote Similarity NPC142599
0.6757 Remote Similarity NPC78154
0.672 Remote Similarity NPC317254
0.6714 Remote Similarity NPC301702
0.6713 Remote Similarity NPC161292
0.6711 Remote Similarity NPC120798
0.6695 Remote Similarity NPC178681
0.6694 Remote Similarity NPC153690
0.6691 Remote Similarity NPC47986
0.6667 Remote Similarity NPC100980
0.6667 Remote Similarity NPC155847
0.6667 Remote Similarity NPC72291
0.6667 Remote Similarity NPC289381
0.6645 Remote Similarity NPC19555
0.6643 Remote Similarity NPC280853
0.664 Remote Similarity NPC205652
0.664 Remote Similarity NPC470550
0.6638 Remote Similarity NPC107619
0.6622 Remote Similarity NPC10730
0.6622 Remote Similarity NPC10875
0.662 Remote Similarity NPC470403
0.662 Remote Similarity NPC470394
0.662 Remote Similarity NPC470404
0.6618 Remote Similarity NPC208022
0.6596 Remote Similarity NPC285016
0.6596 Remote Similarity NPC245657
0.6571 Remote Similarity NPC204156
0.6571 Remote Similarity NPC65517
0.6571 Remote Similarity NPC471596
0.6558 Remote Similarity NPC257354
0.6549 Remote Similarity NPC60553
0.6535 Remote Similarity NPC82963
0.6535 Remote Similarity NPC147957
0.6531 Remote Similarity NPC153769
0.6528 Remote Similarity NPC470395
0.6512 Remote Similarity NPC283760
0.6512 Remote Similarity NPC319950
0.6497 Remote Similarity NPC168153
0.6484 Remote Similarity NPC38458
0.6484 Remote Similarity NPC311737
0.6474 Remote Similarity NPC225381
0.6467 Remote Similarity NPC469428
0.6462 Remote Similarity NPC53596
0.6462 Remote Similarity NPC160120
0.6462 Remote Similarity NPC471308
0.6462 Remote Similarity NPC289330
0.6462 Remote Similarity NPC17388
0.646 Remote Similarity NPC92689
0.6458 Remote Similarity NPC471598
0.6449 Remote Similarity NPC184437
0.6441 Remote Similarity NPC125732
0.6438 Remote Similarity NPC257142
0.6433 Remote Similarity NPC95898
0.6417 Remote Similarity NPC68055
0.6414 Remote Similarity NPC473769
0.6412 Remote Similarity NPC473050
0.6412 Remote Similarity NPC473051
0.641 Remote Similarity NPC310894
0.6405 Remote Similarity NPC204867
0.64 Remote Similarity NPC477889
0.6396 Remote Similarity NPC248817
0.6389 Remote Similarity NPC204932
0.6382 Remote Similarity NPC25899
0.6375 Remote Similarity NPC39822
0.6371 Remote Similarity NPC316052
0.6369 Remote Similarity NPC474409
0.6364 Remote Similarity NPC474862
0.6358 Remote Similarity NPC116573
0.6357 Remote Similarity NPC159589
0.6357 Remote Similarity NPC283468
0.6352 Remote Similarity NPC9475
0.634 Remote Similarity NPC289776
0.634 Remote Similarity NPC133470
0.634 Remote Similarity NPC191863
0.6339 Remote Similarity NPC197783
0.6336 Remote Similarity NPC41801
0.633 Remote Similarity NPC270094
0.6328 Remote Similarity NPC37302
0.6316 Remote Similarity NPC471315
0.6316 Remote Similarity NPC471314
0.6312 Remote Similarity NPC472331
0.6312 Remote Similarity NPC72980
0.6312 Remote Similarity NPC126515
0.6312 Remote Similarity NPC274002
0.6309 Remote Similarity NPC284348
0.6308 Remote Similarity NPC122009
0.6306 Remote Similarity NPC265146
0.6306 Remote Similarity NPC124436
0.6304 Remote Similarity NPC308885
0.6304 Remote Similarity NPC255550
0.6296 Remote Similarity NPC272375
0.6296 Remote Similarity NPC151489
0.6284 Remote Similarity NPC144691
0.6283 Remote Similarity NPC184169
0.6283 Remote Similarity NPC307235
0.6283 Remote Similarity NPC23167
0.6283 Remote Similarity NPC407
0.6279 Remote Similarity NPC258992
0.6277 Remote Similarity NPC226662
0.6275 Remote Similarity NPC285635
0.626 Remote Similarity NPC268572
0.6259 Remote Similarity NPC130595
0.6259 Remote Similarity NPC93882
0.6258 Remote Similarity NPC62069
0.625 Remote Similarity NPC175313
0.625 Remote Similarity NPC286904
0.625 Remote Similarity NPC150837
0.625 Remote Similarity NPC70549
0.6241 Remote Similarity NPC27581
0.624 Remote Similarity NPC172046
0.6239 Remote Similarity NPC4154
0.6234 Remote Similarity NPC48192
0.6233 Remote Similarity NPC473874
0.6228 Remote Similarity NPC157213
0.6228 Remote Similarity NPC25493
0.6228 Remote Similarity NPC104216
0.6228 Remote Similarity NPC27974
0.6228 Remote Similarity NPC113460
0.6224 Remote Similarity NPC471594
0.6218 Remote Similarity NPC315921
0.6214 Remote Similarity NPC6854
0.6214 Remote Similarity NPC313737
0.6214 Remote Similarity NPC285078
0.6212 Remote Similarity NPC252817
0.6207 Remote Similarity NPC270547
0.6202 Remote Similarity NPC303370
0.6197 Remote Similarity NPC316574
0.6196 Remote Similarity NPC212535
0.6195 Remote Similarity NPC155393
0.6194 Remote Similarity NPC473057
0.619 Remote Similarity NPC146370
0.619 Remote Similarity NPC66775
0.6188 Remote Similarity NPC288943
0.6187 Remote Similarity NPC476685
0.6187 Remote Similarity NPC476687
0.6187 Remote Similarity NPC476689
0.6184 Remote Similarity NPC112766
0.6182 Remote Similarity NPC314573
0.6176 Remote Similarity NPC476249
0.6174 Remote Similarity NPC177420
0.6174 Remote Similarity NPC280347
0.6174 Remote Similarity NPC123273
0.6174 Remote Similarity NPC318325
0.6174 Remote Similarity NPC258219
0.6174 Remote Similarity NPC242240
0.6174 Remote Similarity NPC98772
0.617 Remote Similarity NPC218530
0.6169 Remote Similarity NPC235628
0.6169 Remote Similarity NPC231862
0.6169 Remote Similarity NPC306366
0.616 Remote Similarity NPC146530
0.6154 Remote Similarity NPC215445

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC9336 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
0.9143 High Similarity NPD9507 Approved
0.8509 High Similarity NPD313 Approved
0.8496 Intermediate Similarity NPD9342 Approved
0.8142 Intermediate Similarity NPD308 Approved
0.8053 Intermediate Similarity NPD9376 Approved
0.7934 Intermediate Similarity NPD522 Approved
0.7881 Intermediate Similarity NPD254 Approved
0.75 Intermediate Similarity NPD204 Clinical (unspecified phase)
0.7266 Intermediate Similarity NPD848 Approved
0.7266 Intermediate Similarity NPD849 Approved
0.7266 Intermediate Similarity NPD850 Approved
0.7182 Intermediate Similarity NPD1394 Approved
0.7132 Intermediate Similarity NPD9723 Approved
0.7049 Intermediate Similarity NPD286 Approved
0.6966 Remote Similarity NPD2469 Approved
0.6966 Remote Similarity NPD2468 Approved
0.694 Remote Similarity NPD1393 Approved
0.694 Remote Similarity NPD756 Suspended
0.6812 Remote Similarity NPD1422 Approved
0.6781 Remote Similarity NPD5617 Suspended
0.6781 Remote Similarity NPD3296 Phase 1
0.6739 Remote Similarity NPD1169 Approved
0.6714 Remote Similarity NPD75 Approved
0.6714 Remote Similarity NPD9277 Approved
0.6667 Remote Similarity NPD6636 Phase 3
0.6667 Remote Similarity NPD9087 Approved
0.6667 Remote Similarity NPD665 Phase 2
0.6644 Remote Similarity NPD935 Clinical (unspecified phase)
0.6643 Remote Similarity NPD7083 Clinical (unspecified phase)
0.6643 Remote Similarity NPD9276 Approved
0.6643 Remote Similarity NPD9278 Suspended
0.6643 Remote Similarity NPD9275 Approved
0.6643 Remote Similarity NPD7753 Approved
0.6643 Remote Similarity NPD7752 Approved
0.6643 Remote Similarity NPD9274 Approved
0.6613 Remote Similarity NPD181 Approved
0.6575 Remote Similarity NPD711 Discontinued
0.6573 Remote Similarity NPD1835 Phase 1
0.6571 Remote Similarity NPD3391 Approved
0.6571 Remote Similarity NPD9088 Approved
0.6544 Remote Similarity NPD2322 Discovery
0.65 Remote Similarity NPD9610 Approved
0.65 Remote Similarity NPD9608 Approved
0.65 Remote Similarity NPD822 Approved
0.6434 Remote Similarity NPD965 Approved
0.6419 Remote Similarity NPD950 Clinical (unspecified phase)
0.641 Remote Similarity NPD2215 Approved
0.641 Remote Similarity NPD2216 Approved
0.6391 Remote Similarity NPD1158 Phase 2
0.6383 Remote Similarity NPD5788 Clinical (unspecified phase)
0.6378 Remote Similarity NPD9618 Approved
0.6378 Remote Similarity NPD9614 Approved
0.637 Remote Similarity NPD2752 Clinical (unspecified phase)
0.6357 Remote Similarity NPD471 Approved
0.6343 Remote Similarity NPD6320 Approved
0.633 Remote Similarity NPD9089 Approved
0.6323 Remote Similarity NPD1411 Approved
0.6323 Remote Similarity NPD1413 Approved
0.6323 Remote Similarity NPD1414 Approved
0.6316 Remote Similarity NPD2337 Clinical (unspecified phase)
0.6309 Remote Similarity NPD4003 Phase 3
0.6306 Remote Similarity NPD111 Approved
0.6304 Remote Similarity NPD3144 Approved
0.6304 Remote Similarity NPD3145 Approved
0.6301 Remote Similarity NPD1084 Clinical (unspecified phase)
0.6299 Remote Similarity NPD2229 Approved
0.6299 Remote Similarity NPD2228 Approved
0.6299 Remote Similarity NPD2234 Approved
0.6291 Remote Similarity NPD1440 Discontinued
0.6267 Remote Similarity NPD1162 Approved
0.626 Remote Similarity NPD1444 Approved
0.626 Remote Similarity NPD1445 Approved
0.6259 Remote Similarity NPD2674 Phase 3
0.625 Remote Similarity NPD1160 Phase 2
0.625 Remote Similarity NPD190 Phase 1
0.6239 Remote Similarity NPD9093 Approved
0.6232 Remote Similarity NPD4274 Approved
0.6232 Remote Similarity NPD4275 Approved
0.6232 Remote Similarity NPD3720 Discontinued
0.6231 Remote Similarity NPD9247 Phase 3
0.6228 Remote Similarity NPD9295 Approved
0.6218 Remote Similarity NPD9273 Approved
0.6214 Remote Similarity NPD1106 Discontinued
0.6209 Remote Similarity NPD6060 Clinical (unspecified phase)
0.6197 Remote Similarity NPD9279 Approved
0.6194 Remote Similarity NPD964 Approved
0.6194 Remote Similarity NPD955 Approved
0.6187 Remote Similarity NPD865 Approved
0.6187 Remote Similarity NPD864 Approved
0.6184 Remote Similarity NPD3778 Approved
0.6184 Remote Similarity NPD2789 Approved
0.6184 Remote Similarity NPD980 Clinical (unspecified phase)
0.6178 Remote Similarity NPD1921 Clinical (unspecified phase)
0.6174 Remote Similarity NPD1159 Approved
0.6167 Remote Similarity NPD9353 Approved
0.6165 Remote Similarity NPD9693 Approved
0.6165 Remote Similarity NPD9692 Approved
0.6164 Remote Similarity NPD5819 Phase 2
0.6164 Remote Similarity NPD1196 Approved
0.6159 Remote Similarity NPD5352 Clinical (unspecified phase)
0.6159 Remote Similarity NPD5811 Approved
0.6149 Remote Similarity NPD2114 Discontinued
0.6144 Remote Similarity NPD3812 Clinical (unspecified phase)
0.6139 Remote Similarity NPD1293 Approved
0.6136 Remote Similarity NPD2210 Approved
0.6136 Remote Similarity NPD2212 Approved
0.6131 Remote Similarity NPD7451 Discontinued
0.6124 Remote Similarity NPD1791 Approved
0.6124 Remote Similarity NPD1793 Approved
0.6118 Remote Similarity NPD948 Phase 3
0.6118 Remote Similarity NPD3684 Discontinued
0.6115 Remote Similarity NPD1314 Clinical (unspecified phase)
0.6111 Remote Similarity NPD1792 Phase 2
0.6111 Remote Similarity NPD9380 Clinical (unspecified phase)
0.6111 Remote Similarity NPD852 Discontinued
0.6107 Remote Similarity NPD9613 Approved
0.6107 Remote Similarity NPD318 Approved
0.6107 Remote Similarity NPD9615 Approved
0.6107 Remote Similarity NPD9616 Approved
0.6107 Remote Similarity NPD317 Approved
0.6103 Remote Similarity NPD9587 Clinical (unspecified phase)
0.6102 Remote Similarity NPD2933 Approved
0.6102 Remote Similarity NPD2934 Approved
0.6098 Remote Similarity NPD4012 Approved
0.6096 Remote Similarity NPD1195 Approved
0.6094 Remote Similarity NPD9379 Approved
0.6094 Remote Similarity NPD9377 Approved
0.6094 Remote Similarity NPD1105 Clinical (unspecified phase)
0.6093 Remote Similarity NPD3564 Approved
0.6093 Remote Similarity NPD3563 Approved
0.6093 Remote Similarity NPD3562 Approved
0.6093 Remote Similarity NPD814 Clinical (unspecified phase)
0.609 Remote Similarity NPD9272 Approved
0.609 Remote Similarity NPD3453 Discontinued
0.6084 Remote Similarity NPD5565 Discontinued
0.6081 Remote Similarity NPD3141 Discontinued
0.6078 Remote Similarity NPD2366 Approved
0.6078 Remote Similarity NPD3236 Phase 3
0.6078 Remote Similarity NPD3237 Clinical (unspecified phase)
0.6078 Remote Similarity NPD1187 Discontinued
0.6077 Remote Similarity NPD256 Approved
0.6077 Remote Similarity NPD255 Approved
0.6076 Remote Similarity NPD2821 Approved
0.6069 Remote Similarity NPD521 Clinical (unspecified phase)
0.6067 Remote Similarity NPD9509 Clinical (unspecified phase)
0.6065 Remote Similarity NPD3560 Approved
0.6065 Remote Similarity NPD3556 Approved
0.6065 Remote Similarity NPD5599 Discontinued
0.6065 Remote Similarity NPD3558 Approved
0.6065 Remote Similarity NPD3559 Clinical (unspecified phase)
0.6065 Remote Similarity NPD3557 Approved
0.6061 Remote Similarity NPD1759 Phase 1
0.6061 Remote Similarity NPD316 Approved
0.6056 Remote Similarity NPD2791 Discontinued
0.6054 Remote Similarity NPD2241 Approved
0.6054 Remote Similarity NPD7066 Clinical (unspecified phase)
0.6053 Remote Similarity NPD5639 Clinical (unspecified phase)
0.6053 Remote Similarity NPD789 Phase 2
0.6053 Remote Similarity NPD3229 Phase 2
0.605 Remote Similarity NPD2859 Approved
0.605 Remote Similarity NPD2860 Approved
0.6045 Remote Similarity NPD1980 Approved
0.6045 Remote Similarity NPD1983 Approved
0.6045 Remote Similarity NPD1671 Clinical (unspecified phase)
0.6045 Remote Similarity NPD1981 Approved
0.604 Remote Similarity NPD1543 Discontinued
0.6036 Remote Similarity NPD6656 Clinical (unspecified phase)
0.6029 Remote Similarity NPD3676 Clinical (unspecified phase)
0.6028 Remote Similarity NPD7477 Discontinued
0.6028 Remote Similarity NPD1594 Phase 3
0.6028 Remote Similarity NPD1595 Approved
0.6028 Remote Similarity NPD5729 Clinical (unspecified phase)
0.6026 Remote Similarity NPD1684 Approved
0.6026 Remote Similarity NPD1685 Approved
0.6018 Remote Similarity NPD9073 Approved
0.6013 Remote Similarity NPD1850 Phase 3
0.6012 Remote Similarity NPD1716 Phase 3
0.6012 Remote Similarity NPD1503 Clinical (unspecified phase)
0.6012 Remote Similarity NPD7479 Phase 2
0.6 Remote Similarity NPD6283 Phase 2
0.6 Remote Similarity NPD3136 Phase 2
0.6 Remote Similarity NPD9094 Approved
0.6 Remote Similarity NPD604 Clinical (unspecified phase)
0.6 Remote Similarity NPD5631 Phase 3
0.6 Remote Similarity NPD4083 Discontinued
0.6 Remote Similarity NPD1361 Discontinued
0.6 Remote Similarity NPD9352 Approved
0.5987 Remote Similarity NPD862 Approved
0.5987 Remote Similarity NPD1678 Clinical (unspecified phase)
0.5987 Remote Similarity NPD861 Approved
0.5987 Remote Similarity NPD863 Approved
0.5985 Remote Similarity NPD16 Approved
0.5985 Remote Similarity NPD1758 Phase 1
0.5985 Remote Similarity NPD856 Approved
0.5984 Remote Similarity NPD1107 Approved
0.5984 Remote Similarity NPD1108 Approved
0.5976 Remote Similarity NPD1717 Clinical (unspecified phase)
0.5976 Remote Similarity NPD7630 Phase 3
0.5976 Remote Similarity NPD7628 Phase 3
0.5976 Remote Similarity NPD2167 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   12124
ChEMBL   CHEMBL9419
ZINC  

Physicochemical Properties

Molecular Weight:  151.06
ALogP:  -0.532
MLogP:  2.01
XLogP:  1.666
# Rotatable Bonds:  4
Polar Surface Area:  52.82
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  11

Download Data

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