Natural Product: NPC207721

Natural Product ID:  NPC207721
Common Name:   13-Hydroxyberberine
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H17NO5.ClH
Standard InCHIKey:  SAFQLLBOPKXYLB-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C20H17NO5.ClH/c1-23-15-4-3-12-14(20(15)24-2)9-21-6-5-11-7-16-17(26-10-25-16)8-13(11)18(21)19(12)22;/h3-4,7-9H,5-6,10H2,1-2H3;1H
Canonical SMILES:  COc1c(OC)ccc2c1cn1CCc3c(c1c2=O)cc1c(c3)OCO1.Cl
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
NPO5649 Coptis chinensis Species Ranunculaceae Eukaryota TM-MC*
NPO22622 Coptis deltoidea Species Ranunculaceae Eukaryota TM-MC*
NPO13757 Coptis japonica Species Ranunculaceae Eukaryota TM-MC*
NPO29008 Coptis teeta Species Ranunculaceae Eukaryota TM-MC*
NPO24476 Phellodendron amurense Species Rutaceae Eukaryota TM-MC*
NPO22242 Phellodendron chinense Species Rutaceae Eukaryota TM-MC*
NPO26538 Phellodendron chinese Species Rutaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT822 Organism Lemna minor Lemna minor Activity = 0 % 11055412
NPT823 Organism Agrostis stolonifera var. palustris Agrostis stolonifera var. palustris Activity = 0 % 11055412
NPT824 Organism Ustilago maydis Ustilago maydis Inhibition = 0 % 11055412
NPT825 Organism Phytophthora infestans Phytophthora infestans Inhibition = 40 % 11055412
NPT529 Organism Rhizoctonia solani Rhizoctonia solani Inhibition = 0 % 11055412
NPT826 Organism Magnaporthe oryzae Magnaporthe oryzae Inhibition = 0 % 11055412
NPT827 Organism Mycosphaerella graminicola Mycosphaerella graminicola Inhibition = 0 % 11055412
NPT828 Organism Phaeosphaeria nodorum Phaeosphaeria nodorum Inhibition = 0 % 11055412
NPT829 Organism Puccinia recondita Puccinia recondita Activity = 67 % 11055412
NPT825 Organism Phytophthora infestans Phytophthora infestans Activity = 0 % 11055412
NPT828 Organism Phaeosphaeria nodorum Phaeosphaeria nodorum Activity = 0 % 11055412
NPT830 Organism Blumeria graminis f. sp. tritici Blumeria graminis f. sp. tritici Activity = 41 % 11055412

  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 NPC207721 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
0.8994 High Similarity NPC58661
0.8736 High Similarity NPC474009
0.8282 Intermediate Similarity NPC470019
0.8266 Intermediate Similarity NPC67978
0.8266 Intermediate Similarity NPC303581
0.8171 Intermediate Similarity NPC308267
0.816 Intermediate Similarity NPC290404
0.8046 Intermediate Similarity NPC86469
0.8037 Intermediate Similarity NPC137920
0.8037 Intermediate Similarity NPC86455
0.8037 Intermediate Similarity NPC125134
0.7978 Intermediate Similarity NPC121400
0.7964 Intermediate Similarity NPC478189
0.7904 Intermediate Similarity NPC470088
0.7901 Intermediate Similarity NPC116007
0.7879 Intermediate Similarity NPC469978
0.7861 Intermediate Similarity NPC153631
0.7857 Intermediate Similarity NPC18306
0.7833 Intermediate Similarity NPC27887
0.7831 Intermediate Similarity NPC229787
0.7818 Intermediate Similarity NPC80928
0.7753 Intermediate Similarity NPC227683
0.7738 Intermediate Similarity NPC153644
0.7717 Intermediate Similarity NPC477259
0.7717 Intermediate Similarity NPC169387
0.7705 Intermediate Similarity NPC83511
0.7697 Intermediate Similarity NPC28398
0.7665 Intermediate Similarity NPC46880
0.7616 Intermediate Similarity NPC220577
0.7616 Intermediate Similarity NPC118332
0.7607 Intermediate Similarity NPC95485
0.7607 Intermediate Similarity NPC88065
0.7607 Intermediate Similarity NPC89504
0.7602 Intermediate Similarity NPC37220
0.7577 Intermediate Similarity NPC475768
0.7547 Intermediate Similarity NPC286683
0.7539 Intermediate Similarity NPC207239
0.753 Intermediate Similarity NPC223336
0.7529 Intermediate Similarity NPC161544
0.7529 Intermediate Similarity NPC478213
0.7514 Intermediate Similarity NPC474051
0.75 Intermediate Similarity NPC476568
0.75 Intermediate Similarity NPC226708
0.7487 Intermediate Similarity NPC141440
0.7474 Intermediate Similarity NPC477258
0.7471 Intermediate Similarity NPC224687
0.7471 Intermediate Similarity NPC153008
0.7471 Intermediate Similarity NPC296575
0.7471 Intermediate Similarity NPC148497
0.7471 Intermediate Similarity NPC93593
0.7471 Intermediate Similarity NPC68882
0.7458 Intermediate Similarity NPC113055
0.7458 Intermediate Similarity NPC125713
0.7456 Intermediate Similarity NPC145304
0.7447 Intermediate Similarity NPC470642
0.7443 Intermediate Similarity NPC109765
0.7442 Intermediate Similarity NPC127827
0.7435 Intermediate Similarity NPC24228
0.7432 Intermediate Similarity NPC85613
0.7429 Intermediate Similarity NPC57211
0.7427 Intermediate Similarity NPC24257
0.7427 Intermediate Similarity NPC153620
0.7414 Intermediate Similarity NPC279061
0.7414 Intermediate Similarity NPC104353
0.7412 Intermediate Similarity NPC327052
0.7412 Intermediate Similarity NPC472836
0.7407 Intermediate Similarity NPC476570
0.7401 Intermediate Similarity NPC202495
0.7401 Intermediate Similarity NPC310206
0.7386 Intermediate Similarity NPC478238
0.7384 Intermediate Similarity NPC469540
0.7384 Intermediate Similarity NPC469539
0.7384 Intermediate Similarity NPC211296
0.7381 Intermediate Similarity NPC138438
0.7381 Intermediate Similarity NPC908
0.7374 Intermediate Similarity NPC306669
0.7371 Intermediate Similarity NPC41178
0.7371 Intermediate Similarity NPC138487
0.7371 Intermediate Similarity NPC52623
0.7371 Intermediate Similarity NPC216459
0.7365 Intermediate Similarity NPC470962
0.7365 Intermediate Similarity NPC77572
0.736 Intermediate Similarity NPC68619
0.736 Intermediate Similarity NPC325122
0.7358 Intermediate Similarity NPC30216
0.7345 Intermediate Similarity NPC301897
0.7345 Intermediate Similarity NPC106786
0.7337 Intermediate Similarity NPC222524
0.7337 Intermediate Similarity NPC35680
0.7333 Intermediate Similarity NPC18284
0.7333 Intermediate Similarity NPC273021
0.7333 Intermediate Similarity NPC302741
0.733 Intermediate Similarity NPC469815
0.733 Intermediate Similarity NPC469816
0.733 Intermediate Similarity NPC146288
0.7326 Intermediate Similarity NPC475959
0.7318 Intermediate Similarity NPC59567
0.7314 Intermediate Similarity NPC470708
0.7306 Intermediate Similarity NPC71124
0.7306 Intermediate Similarity NPC215098
0.7306 Intermediate Similarity NPC46744
0.7306 Intermediate Similarity NPC73020
0.7306 Intermediate Similarity NPC70290
0.7306 Intermediate Similarity NPC14622
0.7306 Intermediate Similarity NPC124302
0.7303 Intermediate Similarity NPC474990
0.7299 Intermediate Similarity NPC475722
0.7294 Intermediate Similarity NPC192597
0.7294 Intermediate Similarity NPC141817
0.7294 Intermediate Similarity NPC169214
0.7294 Intermediate Similarity NPC176030
0.7294 Intermediate Similarity NPC229218
0.7288 Intermediate Similarity NPC284353
0.7288 Intermediate Similarity NPC3273
0.7283 Intermediate Similarity NPC474999
0.7278 Intermediate Similarity NPC34376
0.7273 Intermediate Similarity NPC308555
0.7273 Intermediate Similarity NPC35544
0.7273 Intermediate Similarity NPC144162
0.7273 Intermediate Similarity NPC292460
0.7273 Intermediate Similarity NPC169742
0.7273 Intermediate Similarity NPC104728
0.7268 Intermediate Similarity NPC5374
0.7267 Intermediate Similarity NPC87295
0.7263 Intermediate Similarity NPC62518
0.7263 Intermediate Similarity NPC215375
0.7262 Intermediate Similarity NPC33011
0.7258 Intermediate Similarity NPC149285
0.7257 Intermediate Similarity NPC234152
0.7253 Intermediate Similarity NPC477884
0.7247 Intermediate Similarity NPC239113
0.7247 Intermediate Similarity NPC115123
0.7247 Intermediate Similarity NPC261484
0.7246 Intermediate Similarity NPC471316
0.7246 Intermediate Similarity NPC254610
0.7243 Intermediate Similarity NPC5167
0.7241 Intermediate Similarity NPC24193
0.7238 Intermediate Similarity NPC61141
0.7238 Intermediate Similarity NPC478199
0.7232 Intermediate Similarity NPC244371
0.7232 Intermediate Similarity NPC54179
0.7232 Intermediate Similarity NPC31311
0.7232 Intermediate Similarity NPC234392
0.7232 Intermediate Similarity NPC279930
0.7231 Intermediate Similarity NPC314100
0.7231 Intermediate Similarity NPC226652
0.7231 Intermediate Similarity NPC120671
0.7231 Intermediate Similarity NPC72788
0.7229 Intermediate Similarity NPC11147
0.7228 Intermediate Similarity NPC4669
0.7225 Intermediate Similarity NPC63152
0.7222 Intermediate Similarity NPC189782
0.7222 Intermediate Similarity NPC474770
0.7222 Intermediate Similarity NPC476569
0.7222 Intermediate Similarity NPC64948
0.7217 Intermediate Similarity NPC22481
0.7216 Intermediate Similarity NPC144283
0.7213 Intermediate Similarity NPC474953
0.7209 Intermediate Similarity NPC308006
0.7208 Intermediate Similarity NPC207971
0.7207 Intermediate Similarity NPC258644
0.7207 Intermediate Similarity NPC76458
0.7207 Intermediate Similarity NPC82733
0.7207 Intermediate Similarity NPC167595
0.7202 Intermediate Similarity NPC33256
0.7202 Intermediate Similarity NPC125924
0.72 Intermediate Similarity NPC119669
0.72 Intermediate Similarity NPC300983
0.7198 Intermediate Similarity NPC475865
0.7195 Intermediate Similarity NPC477705
0.7195 Intermediate Similarity NPC477694
0.7193 Intermediate Similarity NPC185607
0.7191 Intermediate Similarity NPC254163
0.7188 Intermediate Similarity NPC474691
0.7188 Intermediate Similarity NPC254957
0.7184 Intermediate Similarity NPC181464
0.7182 Intermediate Similarity NPC94155
0.7182 Intermediate Similarity NPC209411
0.7182 Intermediate Similarity NPC239890
0.7182 Intermediate Similarity NPC260640
0.7182 Intermediate Similarity NPC295009
0.7172 Intermediate Similarity NPC268077
0.7169 Intermediate Similarity NPC205915
0.7169 Intermediate Similarity NPC473463
0.7168 Intermediate Similarity NPC160777
0.7168 Intermediate Similarity NPC73416
0.7167 Intermediate Similarity NPC238405
0.7167 Intermediate Similarity NPC15764
0.7167 Intermediate Similarity NPC104459
0.7167 Intermediate Similarity NPC257914
0.7166 Intermediate Similarity NPC475794
0.7159 Intermediate Similarity NPC233029
0.7159 Intermediate Similarity NPC210148
0.7158 Intermediate Similarity NPC474301
0.7157 Intermediate Similarity NPC202771
0.7157 Intermediate Similarity NPC2173
0.7157 Intermediate Similarity NPC119818
0.7157 Intermediate Similarity NPC328700
0.7152 Intermediate Similarity NPC477706
0.7152 Intermediate Similarity NPC118419

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC207721 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
0.7791 Intermediate Similarity NPD5978 Approved
0.7791 Intermediate Similarity NPD5977 Approved
0.7651 Intermediate Similarity NPD6658 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD7291 Discontinued
0.7514 Intermediate Similarity NPD6386 Approved
0.7514 Intermediate Similarity NPD6385 Approved
0.7396 Intermediate Similarity NPD5084 Clinical (unspecified phase)
0.7384 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7314 Intermediate Similarity NPD6873 Phase 2
0.7306 Intermediate Similarity NPD4420 Approved
0.7283 Intermediate Similarity NPD6662 Clinical (unspecified phase)
0.7216 Intermediate Similarity NPD7110 Phase 1
0.7216 Intermediate Similarity NPD7109 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD4005 Discontinued
0.7198 Intermediate Similarity NPD5242 Approved
0.7174 Intermediate Similarity NPD2822 Clinical (unspecified phase)
0.7159 Intermediate Similarity NPD6876 Approved
0.7159 Intermediate Similarity NPD6875 Approved
0.7157 Intermediate Similarity NPD5006 Approved
0.7157 Intermediate Similarity NPD5005 Approved
0.7143 Intermediate Similarity NPD2922 Phase 1
0.7128 Intermediate Similarity NPD3534 Clinical (unspecified phase)
0.712 Intermediate Similarity NPD7235 Clinical (unspecified phase)
0.711 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD5616 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD3823 Discontinued
0.7056 Intermediate Similarity NPD5457 Discontinued
0.7035 Intermediate Similarity NPD6331 Phase 2
0.7018 Intermediate Similarity NPD3655 Clinical (unspecified phase)
0.6995 Remote Similarity NPD5914 Approved
0.6995 Remote Similarity NPD5525 Clinical (unspecified phase)
0.6989 Remote Similarity NPD3639 Approved
0.6989 Remote Similarity NPD3640 Phase 3
0.6989 Remote Similarity NPD3641 Approved
0.6989 Remote Similarity NPD3818 Discontinued
0.6988 Remote Similarity NPD5110 Phase 2
0.6988 Remote Similarity NPD5111 Phase 2
0.6988 Remote Similarity NPD5109 Approved
0.6978 Remote Similarity NPD6862 Phase 2
0.6974 Remote Similarity NPD4413 Clinical (unspecified phase)
0.6971 Remote Similarity NPD4584 Approved
0.697 Remote Similarity NPD4107 Approved
0.6954 Remote Similarity NPD6783 Clinical (unspecified phase)
0.6947 Remote Similarity NPD2971 Approved
0.6947 Remote Similarity NPD2968 Approved
0.694 Remote Similarity NPD5494 Approved
0.6923 Remote Similarity NPD2492 Phase 1
0.6919 Remote Similarity NPD4664 Clinical (unspecified phase)
0.691 Remote Similarity NPD7458 Discontinued
0.6902 Remote Similarity NPD2821 Approved
0.6897 Remote Similarity NPD4859 Phase 1
0.6884 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6881 Remote Similarity NPD7607 Clinical (unspecified phase)
0.6872 Remote Similarity NPD7028 Phase 2
0.6872 Remote Similarity NPD1337 Clinical (unspecified phase)
0.6863 Remote Similarity NPD8151 Discontinued
0.6856 Remote Similarity NPD6377 Clinical (unspecified phase)
0.6851 Remote Similarity NPD5563 Clinical (unspecified phase)
0.685 Remote Similarity NPD4482 Phase 3
0.6848 Remote Similarity NPD2798 Approved
0.6845 Remote Similarity NPD5602 Clinical (unspecified phase)
0.6842 Remote Similarity NPD6028 Clinical (unspecified phase)
0.6842 Remote Similarity NPD6029 Clinical (unspecified phase)
0.6833 Remote Similarity NPD5090 Approved
0.6833 Remote Similarity NPD5089 Approved
0.6829 Remote Similarity NPD4997 Clinical (unspecified phase)
0.6825 Remote Similarity NPD2325 Approved
0.6823 Remote Similarity NPD6618 Phase 2
0.6823 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6816 Remote Similarity NPD6823 Phase 2
0.6816 Remote Similarity NPD824 Approved
0.6813 Remote Similarity NPD2358 Clinical (unspecified phase)
0.6813 Remote Similarity NPD2379 Clinical (unspecified phase)
0.6809 Remote Similarity NPD7177 Discontinued
0.6805 Remote Similarity NPD3142 Approved
0.6805 Remote Similarity NPD3140 Approved
0.6796 Remote Similarity NPD7317 Phase 3
0.6796 Remote Similarity NPD7945 Clinical (unspecified phase)
0.6796 Remote Similarity NPD6844 Discontinued
0.6796 Remote Similarity NPD6279 Approved
0.6796 Remote Similarity NPD6280 Approved
0.6791 Remote Similarity NPD6894 Phase 1
0.6771 Remote Similarity NPD7280 Phase 3
0.6771 Remote Similarity NPD7281 Phase 3
0.6765 Remote Similarity NPD1933 Approved
0.6751 Remote Similarity NPD4466 Phase 1
0.675 Remote Similarity NPD7565 Approved
0.675 Remote Similarity NPD5536 Phase 2
0.6746 Remote Similarity NPD554 Clinical (unspecified phase)
0.6744 Remote Similarity NPD4108 Discontinued
0.6742 Remote Similarity NPD3647 Clinical (unspecified phase)
0.6735 Remote Similarity NPD2488 Approved
0.6735 Remote Similarity NPD2490 Approved
0.6734 Remote Similarity NPD5564 Approved
0.6734 Remote Similarity NPD2973 Approved
0.6734 Remote Similarity NPD2974 Approved
0.6734 Remote Similarity NPD2975 Approved
0.6733 Remote Similarity NPD3057 Approved
0.6727 Remote Similarity NPD1876 Approved
0.6726 Remote Similarity NPD2669 Clinical (unspecified phase)
0.6723 Remote Similarity NPD4357 Discontinued
0.6722 Remote Similarity NPD3455 Phase 2
0.6722 Remote Similarity NPD2649 Approved
0.6722 Remote Similarity NPD2651 Approved
0.6721 Remote Similarity NPD7318 Phase 3
0.672 Remote Similarity NPD7893 Clinical (unspecified phase)
0.672 Remote Similarity NPD7199 Phase 2
0.6719 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6718 Remote Similarity NPD3349 Phase 2
0.6715 Remote Similarity NPD7801 Approved
0.6707 Remote Similarity NPD3972 Approved
0.6703 Remote Similarity NPD37 Approved
0.6702 Remote Similarity NPD4481 Phase 3
0.6701 Remote Similarity NPD3819 Phase 2
0.6686 Remote Similarity NPD5718 Phase 2
0.6686 Remote Similarity NPD2654 Approved
0.6686 Remote Similarity NPD6896 Approved
0.6686 Remote Similarity NPD6895 Approved
0.6685 Remote Similarity NPD3882 Suspended
0.6685 Remote Similarity NPD4739 Approved
0.6685 Remote Similarity NPD6502 Phase 2
0.6684 Remote Similarity NPD7054 Approved
0.6684 Remote Similarity NPD6232 Discontinued
0.6684 Remote Similarity NPD6808 Phase 2
0.6684 Remote Similarity NPD7315 Approved
0.6683 Remote Similarity NPD7667 Clinical (unspecified phase)
0.6683 Remote Similarity NPD7225 Discontinued
0.6667 Remote Similarity NPD1375 Discontinued
0.6667 Remote Similarity NPD7874 Approved
0.6667 Remote Similarity NPD2801 Approved
0.6667 Remote Similarity NPD7039 Approved
0.6667 Remote Similarity NPD5752 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7038 Approved
0.6667 Remote Similarity NPD7473 Discontinued
0.6667 Remote Similarity NPD1669 Approved
0.6667 Remote Similarity NPD7875 Clinical (unspecified phase)
0.665 Remote Similarity NPD3533 Approved
0.665 Remote Similarity NPD2972 Approved
0.665 Remote Similarity NPD5950 Discontinued
0.665 Remote Similarity NPD2491 Approved
0.6649 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6649 Remote Similarity NPD7074 Phase 3
0.6649 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6649 Remote Similarity NPD7472 Approved
0.6649 Remote Similarity NPD3926 Phase 2
0.6649 Remote Similarity NPD5604 Discontinued
0.6648 Remote Similarity NPD5889 Approved
0.6648 Remote Similarity NPD5890 Approved
0.6647 Remote Similarity NPD3748 Approved
0.6634 Remote Similarity NPD6777 Approved
0.6634 Remote Similarity NPD6780 Approved
0.6634 Remote Similarity NPD4580 Approved
0.6634 Remote Similarity NPD6778 Approved
0.6634 Remote Similarity NPD6779 Approved
0.6634 Remote Similarity NPD6776 Approved
0.6634 Remote Similarity NPD6782 Approved
0.6634 Remote Similarity NPD6781 Approved
0.6633 Remote Similarity NPD2746 Clinical (unspecified phase)
0.6633 Remote Similarity NPD2745 Approved
0.6633 Remote Similarity NPD3473 Clinical (unspecified phase)
0.663 Remote Similarity NPD3817 Phase 2
0.663 Remote Similarity NPD5353 Approved
0.6629 Remote Similarity NPD7596 Clinical (unspecified phase)
0.6629 Remote Similarity NPD2897 Discontinued
0.6615 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6615 Remote Similarity NPD6996 Clinical (unspecified phase)
0.6614 Remote Similarity NPD2898 Approved
0.6612 Remote Similarity NPD7577 Discontinued
0.6611 Remote Similarity NPD3869 Phase 3
0.6611 Remote Similarity NPD3873 Phase 3
0.661 Remote Similarity NPD5241 Discontinued
0.6609 Remote Similarity NPD2161 Phase 2
0.6609 Remote Similarity NPD4477 Approved
0.6609 Remote Similarity NPD4476 Approved
0.6605 Remote Similarity NPD7279 Phase 2
0.6605 Remote Similarity NPD7278 Phase 2
0.6605 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6603 Remote Similarity NPD3816 Phase 1
0.6603 Remote Similarity NPD3815 Phase 1
0.6601 Remote Similarity NPD2493 Approved
0.6601 Remote Similarity NPD2494 Approved
0.6599 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6599 Remote Similarity NPD3408 Clinical (unspecified phase)
0.6597 Remote Similarity NPD5844 Phase 1
0.6595 Remote Similarity NPD4965 Approved
0.6595 Remote Similarity NPD4947 Clinical (unspecified phase)
0.6595 Remote Similarity NPD5019 Clinical (unspecified phase)
0.6595 Remote Similarity NPD4967 Phase 2
0.6595 Remote Similarity NPD4966 Approved
0.6593 Remote Similarity NPD2592 Discontinued
0.6593 Remote Similarity NPD6585 Discontinued
0.6592 Remote Similarity NPD4123 Phase 3
0.6588 Remote Similarity NPD8149 Discontinued
0.658 Remote Similarity NPD7685 Pre-registration
0.6578 Remote Similarity NPD7201 Clinical (unspecified phase)
0.6573 Remote Similarity NPD5519 Discontinued
0.657 Remote Similarity NPD7701 Phase 2
0.6569 Remote Similarity NPD956 Clinical (unspecified phase)
0.6569 Remote Similarity NPD3448 Approved
0.6559 Remote Similarity NPD4381 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   24827073
ChEMBL   CHEMBL2270082
ZINC  

Physicochemical Properties

Molecular Weight:  351.11
ALogP:  -1.0367
MLogP:  3
XLogP:  1.581
# Rotatable Bonds:  4
Polar Surface Area:  65.67
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  5
# Heavy Atoms:  26

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Biological Activities  
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