Natural Product: NPC44836

Natural Product ID:  NPC44836
Common Name:   P-Nitrophenol
IUPAC Name:   4-nitrophenol
Synonyms:   SR-1C2
Molecular Formula:   C6H5NO3
Standard InCHIKey:  BTJIUGUIPKRLHP-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
Canonical SMILES:  Oc1ccc(cc1)N(=O)=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
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[21543078]
NPO20338 Mus musculus Species Muridae Eukaryota PMID[19425150]
NPO12011 Crataegus pinnatifida Species Rosaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2945 Individual Protein Phospholipase A2 group 1B Sus scrofa Activity = 2.5 nM min-1 mg-1 9873499
NPT79 Organism Bacillus subtilis Bacillus subtilis IC50 = 6830000 nM 6802973
NPT137 Cell Line L1210 Mus musculus Activity < 15 % 16279782
NPT783 Cell Line MIA PaCa-2 Homo sapiens IC50 = 10994 nM 17944451
NPT783 Cell Line MIA PaCa-2 Homo sapiens IC50 = 12994 nM 17944451
NPT901 Individual Protein UDP-glucuronosyltransferase 1-1 Homo sapiens Activity = 200 pm/min/mg 10836148
NPT901 Individual Protein UDP-glucuronosyltransferase 1-1 Homo sapiens Activity = 86 pm/min/mg 10836148
NPT699 Individual Protein UDP-glucuronosyltransferase 1-10 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT699 Individual Protein UDP-glucuronosyltransferase 1-10 Homo sapiens Activity = 10 pm/min/mg 10836148
NPT694 Individual Protein UDP-glucuronosyltransferase 1-3 Homo sapiens Activity = 239 pm/min/mg 10836148
NPT902 Individual Protein UDP-glucuronosyltransferase 1A4 Homo sapiens Activity = 5 pm/min/mg 10836148
NPT702 Individual Protein UDP-glucuronosyltransferase 1-6 Homo sapiens Activity = 33.5 pm/min/mg 10836148
NPT702 Individual Protein UDP-glucuronosyltransferase 1-6 Homo sapiens Activity = 17 pm/min/mg 10836148
NPT903 Individual Protein UDP-glucuronosyltransferase 1-7 Homo sapiens Activity = 28 pm/min/mg 10836148
NPT695 Individual Protein UDP-glucuronosyltransferase 1-8 Homo sapiens Activity = 287 pm/min/mg 10836148
NPT695 Individual Protein UDP-glucuronosyltransferase 1-8 Homo sapiens Activity = 215 pm/min/mg 10836148
NPT700 Individual Protein UDP-glucuronosyltransferase 2B10 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT704 Individual Protein UDP-glucuronosyltransferase 2B15 Homo sapiens Activity = 73 pm/min/mg 10836148
NPT904 Individual Protein UDP-glucuronosyltransferase 2B17 Homo sapiens Activity = 4 pm/min/mg 10836148
NPT701 Individual Protein UDP-glucuronosyltransferase 2B4 Homo sapiens Activity = 0.45 pm/min/mg 10836148
NPT697 Individual Protein UDP-glucuronosyltransferase 2B7 Homo sapiens Activity = 5 pm/min/mg 10836148
NPT697 Individual Protein UDP-glucuronosyltransferase 2B7 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT2 Others Unspecified Ratio = 40 23473072
NPT2 Others Unspecified Kd = 3000 nM 23473072
NPT2 Others Unspecified Kd = 123000 nM 23473072
NPT2 Others Unspecified Potency 54482.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1806.1 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 25511.2 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 17373.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 71248.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 44954.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61644.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61130.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 57.1 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 27535.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 56594.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 48557.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 64081.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 50901.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 27535.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 43277.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 63500.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7994.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 76958.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 27306 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 12197.2 nM PubChem BioAssay data set
NPT2 Others Unspecified FC = 3.3 13215
NPT2 Others Unspecified FC = 3.37 13215
NPT2 Others Unspecified FC = 3.51 13215
NPT2 Others Unspecified FC = 3.39 13215
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 389 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11395.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 22530.8 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 NPC44836 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
0.8962 High Similarity NPC329358
0.8919 High Similarity NPC321869
0.8824 High Similarity NPC70201
0.8545 High Similarity NPC322735
0.8505 High Similarity NPC76327
0.8468 Intermediate Similarity NPC329190
0.8131 Intermediate Similarity NPC311660
0.8056 Intermediate Similarity NPC256838
0.7857 Intermediate Similarity NPC255721
0.7788 Intermediate Similarity NPC9336
0.7759 Intermediate Similarity NPC222982
0.7717 Intermediate Similarity NPC317872
0.7586 Intermediate Similarity NPC264782
0.6891 Remote Similarity NPC226914
0.6869 Remote Similarity NPC100980
0.6842 Remote Similarity NPC91615
0.6765 Remote Similarity NPC65517
0.6696 Remote Similarity NPC29601
0.6692 Remote Similarity NPC313466
0.6692 Remote Similarity NPC314278
0.6691 Remote Similarity NPC316574
0.6607 Remote Similarity NPC476483
0.6594 Remote Similarity NPC204156
0.6571 Remote Similarity NPC204932
0.6557 Remote Similarity NPC280382
0.6538 Remote Similarity NPC315632
0.6509 Remote Similarity NPC270094
0.65 Remote Similarity NPC37584
0.65 Remote Similarity NPC215445
0.6496 Remote Similarity NPC122542
0.6449 Remote Similarity NPC166667
0.6415 Remote Similarity NPC4154
0.6408 Remote Similarity NPC323798
0.6403 Remote Similarity NPC469828
0.6393 Remote Similarity NPC172046
0.6377 Remote Similarity NPC159589
0.6357 Remote Similarity NPC314252
0.6357 Remote Similarity NPC47986
0.6331 Remote Similarity NPC159722
0.6331 Remote Similarity NPC126637
0.6325 Remote Similarity NPC125732
0.6319 Remote Similarity NPC146370
0.6312 Remote Similarity NPC314113
0.6303 Remote Similarity NPC178902
0.6296 Remote Similarity NPC15839
0.6283 Remote Similarity NPC151764
0.6271 Remote Similarity NPC155847
0.6271 Remote Similarity NPC289381
0.6268 Remote Similarity NPC470090
0.6262 Remote Similarity NPC307456
0.625 Remote Similarity NPC473987
0.6241 Remote Similarity NPC181526
0.6202 Remote Similarity NPC229353
0.6182 Remote Similarity NPC33756
0.6182 Remote Similarity NPC319826
0.6182 Remote Similarity NPC265146
0.6182 Remote Similarity NPC124436
0.6182 Remote Similarity NPC38459
0.6167 Remote Similarity NPC178681
0.6167 Remote Similarity NPC68055
0.6161 Remote Similarity NPC280254
0.6154 Remote Similarity NPC301702
0.6149 Remote Similarity NPC40209
0.6148 Remote Similarity NPC231705
0.6132 Remote Similarity NPC322285
0.6126 Remote Similarity NPC248817
0.6126 Remote Similarity NPC286904
0.6126 Remote Similarity NPC175313
0.6126 Remote Similarity NPC150837
0.6115 Remote Similarity NPC297584
0.6111 Remote Similarity NPC168750
0.6111 Remote Similarity NPC471785
0.6106 Remote Similarity NPC157213
0.6106 Remote Similarity NPC104216
0.6102 Remote Similarity NPC107619
0.6102 Remote Similarity NPC315921
0.6099 Remote Similarity NPC43218
0.6098 Remote Similarity NPC142297
0.6094 Remote Similarity NPC160179
0.6078 Remote Similarity NPC271732
0.6071 Remote Similarity NPC197783
0.6071 Remote Similarity NPC155393
0.6069 Remote Similarity NPC260601
0.605 Remote Similarity NPC323726
0.6048 Remote Similarity NPC96224
0.6048 Remote Similarity NPC24101
0.6048 Remote Similarity NPC153690
0.6047 Remote Similarity NPC147957
0.6018 Remote Similarity NPC184169
0.6018 Remote Similarity NPC407
0.6018 Remote Similarity NPC307235
0.6018 Remote Similarity NPC23167
0.6 Remote Similarity NPC47950
0.6 Remote Similarity NPC277758
0.6 Remote Similarity NPC312304
0.6 Remote Similarity NPC288923
0.6 Remote Similarity NPC290566
0.6 Remote Similarity NPC145638
0.6 Remote Similarity NPC258056
0.6 Remote Similarity NPC300017
0.6 Remote Similarity NPC300478
0.5986 Remote Similarity NPC473769
0.5985 Remote Similarity NPC130931
0.5985 Remote Similarity NPC150323
0.5965 Remote Similarity NPC113460
0.5965 Remote Similarity NPC25493
0.5965 Remote Similarity NPC27974
0.596 Remote Similarity NPC36168
0.5959 Remote Similarity NPC470403
0.5959 Remote Similarity NPC470394
0.5959 Remote Similarity NPC470404
0.5952 Remote Similarity NPC474149
0.5948 Remote Similarity NPC270547
0.5948 Remote Similarity NPC45040
0.5948 Remote Similarity NPC70549
0.5946 Remote Similarity NPC315829
0.5933 Remote Similarity NPC264400
0.5931 Remote Similarity NPC476462
0.5929 Remote Similarity NPC252149
0.5929 Remote Similarity NPC208022
0.5917 Remote Similarity NPC316435
0.5913 Remote Similarity NPC280347
0.5913 Remote Similarity NPC318325
0.5913 Remote Similarity NPC98772
0.5913 Remote Similarity NPC177420
0.5913 Remote Similarity NPC123273
0.5913 Remote Similarity NPC242240
0.5913 Remote Similarity NPC258219
0.5905 Remote Similarity NPC66775
0.5897 Remote Similarity NPC138117
0.5897 Remote Similarity NPC325292
0.5897 Remote Similarity NPC181709
0.5897 Remote Similarity NPC29373
0.5896 Remote Similarity NPC268348
0.5894 Remote Similarity NPC184161
0.5891 Remote Similarity NPC118202
0.5886 Remote Similarity NPC44161
0.5878 Remote Similarity NPC470395
0.5873 Remote Similarity NPC316052
0.5871 Remote Similarity NPC306366
0.587 Remote Similarity NPC259098
0.587 Remote Similarity NPC197680
0.5867 Remote Similarity NPC144691
0.5862 Remote Similarity NPC55561
0.5862 Remote Similarity NPC192
0.5859 Remote Similarity NPC146422
0.5849 Remote Similarity NPC301874
0.5847 Remote Similarity NPC32977
0.5847 Remote Similarity NPC128062
0.5847 Remote Similarity NPC81010
0.5847 Remote Similarity NPC16649
0.5847 Remote Similarity NPC114325
0.5847 Remote Similarity NPC151715
0.5846 Remote Similarity NPC317254
0.5839 Remote Similarity NPC220523
0.5833 Remote Similarity NPC475983
0.5833 Remote Similarity NPC199737
0.5828 Remote Similarity NPC322283
0.5826 Remote Similarity NPC19680
0.5821 Remote Similarity NPC473050
0.5821 Remote Similarity NPC473051
0.5814 Remote Similarity NPC309808
0.5812 Remote Similarity NPC322888
0.5812 Remote Similarity NPC304541
0.5812 Remote Similarity NPC204210
0.5812 Remote Similarity NPC231150
0.5812 Remote Similarity NPC155908
0.5812 Remote Similarity NPC306074
0.5812 Remote Similarity NPC174048
0.5806 Remote Similarity NPC313362
0.5802 Remote Similarity NPC106551
0.5802 Remote Similarity NPC82963
0.5802 Remote Similarity NPC281686
0.5802 Remote Similarity NPC188867
0.58 Remote Similarity NPC257142
0.5798 Remote Similarity NPC286006
0.5798 Remote Similarity NPC26244
0.5798 Remote Similarity NPC313650
0.5798 Remote Similarity NPC274678
0.5798 Remote Similarity NPC246679
0.5798 Remote Similarity NPC257182
0.5798 Remote Similarity NPC107522
0.5796 Remote Similarity NPC139506
0.5796 Remote Similarity NPC292143
0.5789 Remote Similarity NPC219383
0.5786 Remote Similarity NPC314473
0.5782 Remote Similarity NPC60553
0.5779 Remote Similarity NPC112766
0.5776 Remote Similarity NPC92689
0.5776 Remote Similarity NPC78154
0.5769 Remote Similarity NPC205652
0.5769 Remote Similarity NPC142599
0.5769 Remote Similarity NPC470550
0.5766 Remote Similarity NPC325013
0.5766 Remote Similarity NPC205946
0.5763 Remote Similarity NPC210497
0.5763 Remote Similarity NPC55903
0.5763 Remote Similarity NPC295295
0.5763 Remote Similarity NPC94139
0.5763 Remote Similarity NPC147284

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC44836 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
0.8505 High Similarity NPD9507 Approved
0.8468 Intermediate Similarity NPD286 Approved
0.8108 Intermediate Similarity NPD9376 Approved
0.7458 Intermediate Similarity NPD9342 Approved
0.7333 Intermediate Similarity NPD9247 Phase 3
0.7333 Intermediate Similarity NPD254 Approved
0.7293 Intermediate Similarity NPD521 Clinical (unspecified phase)
0.719 Intermediate Similarity NPD313 Approved
0.7165 Intermediate Similarity NPD9723 Approved
0.6984 Remote Similarity NPD522 Approved
0.697 Remote Similarity NPD756 Suspended
0.6889 Remote Similarity NPD204 Clinical (unspecified phase)
0.6869 Remote Similarity NPD9087 Approved
0.6833 Remote Similarity NPD308 Approved
0.6765 Remote Similarity NPD9088 Approved
0.6691 Remote Similarity NPD6636 Phase 3
0.6691 Remote Similarity NPD9279 Approved
0.6667 Remote Similarity NPD1158 Phase 2
0.6621 Remote Similarity NPD1162 Approved
0.6607 Remote Similarity NPD1394 Approved
0.6597 Remote Similarity NPD711 Discontinued
0.6594 Remote Similarity NPD3391 Approved
0.6515 Remote Similarity NPD1160 Phase 2
0.6509 Remote Similarity NPD9089 Approved
0.6471 Remote Similarity NPD1393 Approved
0.6454 Remote Similarity NPD965 Approved
0.6443 Remote Similarity NPD935 Clinical (unspecified phase)
0.6415 Remote Similarity NPD9093 Approved
0.6408 Remote Similarity NPD1196 Approved
0.6403 Remote Similarity NPD822 Approved
0.64 Remote Similarity NPD3241 Phase 2
0.6377 Remote Similarity NPD471 Approved
0.6351 Remote Similarity NPD1557 Discontinued
0.6338 Remote Similarity NPD1195 Approved
0.6319 Remote Similarity NPD1084 Clinical (unspecified phase)
0.6276 Remote Similarity NPD1543 Discontinued
0.625 Remote Similarity NPD9610 Approved
0.625 Remote Similarity NPD9608 Approved
0.625 Remote Similarity NPD1314 Clinical (unspecified phase)
0.6241 Remote Similarity NPD1422 Approved
0.6197 Remote Similarity NPD7083 Clinical (unspecified phase)
0.6182 Remote Similarity NPD111 Approved
0.6182 Remote Similarity NPD9073 Approved
0.617 Remote Similarity NPD1169 Approved
0.6161 Remote Similarity NPD9094 Approved
0.6154 Remote Similarity NPD9277 Approved
0.6154 Remote Similarity NPD75 Approved
0.6148 Remote Similarity NPD849 Approved
0.6148 Remote Similarity NPD850 Approved
0.6148 Remote Similarity NPD848 Approved
0.6129 Remote Similarity NPD3251 Approved
0.6106 Remote Similarity NPD9295 Approved
0.6102 Remote Similarity NPD9273 Approved
0.6096 Remote Similarity NPD3141 Discontinued
0.6084 Remote Similarity NPD9276 Approved
0.6084 Remote Similarity NPD9274 Approved
0.6084 Remote Similarity NPD9278 Suspended
0.6084 Remote Similarity NPD9275 Approved
0.6076 Remote Similarity NPD1220 Phase 1
0.6071 Remote Similarity NPD9694 Discovery
0.6069 Remote Similarity NPD2241 Approved
0.6067 Remote Similarity NPD3229 Phase 2
0.6067 Remote Similarity NPD5639 Clinical (unspecified phase)
0.6063 Remote Similarity NPD456 Approved
0.6056 Remote Similarity NPD5788 Clinical (unspecified phase)
0.6054 Remote Similarity NPD2114 Discontinued
0.6051 Remote Similarity NPD1293 Approved
0.6027 Remote Similarity NPD1835 Phase 1
0.6026 Remote Similarity NPD2341 Discontinued
0.6017 Remote Similarity NPD9070 Clinical (unspecified phase)
0.6 Remote Similarity NPD457 Approved
0.6 Remote Similarity NPD9380 Clinical (unspecified phase)
0.6 Remote Similarity NPD9587 Clinical (unspecified phase)
0.6 Remote Similarity NPD950 Clinical (unspecified phase)
0.5987 Remote Similarity NPD3511 Discontinued
0.5987 Remote Similarity NPD2672 Discontinued
0.5985 Remote Similarity NPD9272 Approved
0.5973 Remote Similarity NPD9509 Clinical (unspecified phase)
0.5971 Remote Similarity NPD9471 Clinical (unspecified phase)
0.5963 Remote Similarity NPD1221 Approved
0.5962 Remote Similarity NPD3252 Approved
0.5959 Remote Similarity NPD5819 Phase 2
0.5939 Remote Similarity NPD6045 Phase 3
0.5931 Remote Similarity NPD5719 Approved
0.5894 Remote Similarity NPD1678 Clinical (unspecified phase)
0.5891 Remote Similarity NPD9618 Approved
0.5891 Remote Similarity NPD9614 Approved
0.5887 Remote Similarity NPD1445 Approved
0.5887 Remote Similarity NPD1444 Approved
0.5882 Remote Similarity NPD2789 Approved
0.5859 Remote Similarity NPD9379 Approved
0.5859 Remote Similarity NPD9377 Approved
0.5854 Remote Similarity NPD5637 Discontinued
0.5852 Remote Similarity NPD964 Approved
0.5847 Remote Similarity NPD9296 Approved
0.5847 Remote Similarity NPD2934 Approved
0.5847 Remote Similarity NPD665 Phase 2
0.5847 Remote Similarity NPD2933 Approved
0.5846 Remote Similarity NPD255 Approved
0.5846 Remote Similarity NPD256 Approved
0.5827 Remote Similarity NPD9280 Clinical (unspecified phase)
0.5821 Remote Similarity NPD1981 Approved
0.5821 Remote Similarity NPD1980 Approved
0.5821 Remote Similarity NPD1983 Approved
0.5817 Remote Similarity NPD3296 Phase 1
0.5814 Remote Similarity NPD2228 Approved
0.5814 Remote Similarity NPD2234 Approved
0.5814 Remote Similarity NPD2229 Approved
0.5802 Remote Similarity NPD9568 Approved
0.5798 Remote Similarity NPD2859 Approved
0.5798 Remote Similarity NPD2860 Approved
0.5796 Remote Similarity NPD3453 Discontinued
0.5789 Remote Similarity NPD1633 Approved
0.5789 Remote Similarity NPD9695 Approved
0.5786 Remote Similarity NPD3720 Discontinued
0.5786 Remote Similarity NPD4274 Approved
0.5786 Remote Similarity NPD4275 Approved
0.5769 Remote Similarity NPD5599 Discontinued
0.5766 Remote Similarity NPD6320 Approved
0.5762 Remote Similarity NPD1159 Approved
0.5758 Remote Similarity NPD317 Approved
0.5758 Remote Similarity NPD318 Approved
0.5752 Remote Similarity NPD1634 Approved
0.5748 Remote Similarity NPD1792 Phase 2
0.574 Remote Similarity NPD3398 Discontinued
0.5736 Remote Similarity NPD1105 Clinical (unspecified phase)
0.5736 Remote Similarity NPD181 Approved
0.5735 Remote Similarity NPD2337 Clinical (unspecified phase)
0.5733 Remote Similarity NPD2752 Clinical (unspecified phase)
0.5731 Remote Similarity NPD4740 Approved
0.5714 Remote Similarity NPD1432 Clinical (unspecified phase)
0.5714 Remote Similarity NPD3684 Discontinued
0.5714 Remote Similarity NPD2226 Clinical (unspecified phase)
0.5705 Remote Similarity NPD9469 Approved
0.5705 Remote Similarity NPD6283 Phase 2
0.5704 Remote Similarity NPD1671 Clinical (unspecified phase)
0.5704 Remote Similarity NPD1594 Phase 3
0.5704 Remote Similarity NPD1595 Approved
0.5702 Remote Similarity NPD9097 Approved
0.5702 Remote Similarity NPD9096 Approved
0.5702 Remote Similarity NPD68 Approved
0.5702 Remote Similarity NPD9095 Approved
0.5677 Remote Similarity NPD4255 Phase 1
0.5677 Remote Similarity NPD2366 Approved
0.5677 Remote Similarity NPD6913 Approved
0.5677 Remote Similarity NPD1187 Discontinued
0.5677 Remote Similarity NPD3778 Approved
0.5669 Remote Similarity NPD3556 Approved
0.5669 Remote Similarity NPD3558 Approved
0.5669 Remote Similarity NPD3560 Approved
0.5669 Remote Similarity NPD3559 Clinical (unspecified phase)
0.5669 Remote Similarity NPD3557 Approved
0.5667 Remote Similarity NPD844 Approved
0.5667 Remote Similarity NPD1305 Clinical (unspecified phase)
0.5658 Remote Similarity NPD1405 Approved
0.5656 Remote Similarity NPD3020 Approved
0.5652 Remote Similarity NPD1839 Phase 1
0.5649 Remote Similarity NPD5811 Approved
0.5649 Remote Similarity NPD1791 Approved
0.5649 Remote Similarity NPD1793 Approved
0.5646 Remote Similarity NPD7753 Approved
0.5646 Remote Similarity NPD7752 Approved
0.5643 Remote Similarity NPD9701 Discontinued
0.5641 Remote Similarity NPD3784 Discontinued
0.5639 Remote Similarity NPD16 Approved
0.5639 Remote Similarity NPD9615 Approved
0.5639 Remote Similarity NPD856 Approved
0.5639 Remote Similarity NPD9613 Approved
0.5639 Remote Similarity NPD9616 Approved
0.5634 Remote Similarity NPD864 Approved
0.5634 Remote Similarity NPD2322 Discovery
0.5634 Remote Similarity NPD865 Approved
0.563 Remote Similarity NPD845 Approved
0.563 Remote Similarity NPD1525 Approved
0.5625 Remote Similarity NPD2791 Discontinued
0.5621 Remote Similarity NPD3627 Approved
0.562 Remote Similarity NPD288 Approved
0.5617 Remote Similarity NPD1913 Phase 1
0.5614 Remote Similarity NPD7617 Discontinued
0.5613 Remote Similarity NPD948 Phase 3
0.5613 Remote Similarity NPD5617 Suspended
0.561 Remote Similarity NPD1242 Phase 1
0.561 Remote Similarity NPD289 Clinical (unspecified phase)
0.561 Remote Similarity NPD190 Phase 1
0.5608 Remote Similarity NPD4598 Approved
0.5608 Remote Similarity NPD4597 Approved
0.56 Remote Similarity NPD1622 Discontinued

Structure

External Identifiers

PubChem CID   980
ChEMBL   CHEMBL14130
ZINC  

Physicochemical Properties

Molecular Weight:  139.03
ALogP:  0.1998
MLogP:  1.68
XLogP:  1.72
# Rotatable Bonds:  3
Polar Surface Area:  63.37
# H-Bond Aceptor:  0
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  10

Download Data

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