Natural Product: NPC60621

Natural Product ID:  NPC60621
Common Name:   7-Methoxy-Beta-Carboline-1-Propionic Acid
IUPAC Name:   3-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)propanoic acid
Synonyms:  
Molecular Formula:   C15H14N2O3
Standard InCHIKey:  WEBVBZDGWMAXEF-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C15H14N2O3/c1-20-9-2-3-10-11-6-7-16-12(4-5-14(18)19)15(11)17-13(10)8-9/h2-3,6-8,17H,4-5H2,1H3,(H,18,19)
Canonical SMILES:  COc1ccc2c(c1)[nH]c1c2ccnc1CCC(=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
NPO12988 Blainvillea latifolia Species Asteraceae Eukaryota UNPD*
NPO6014 Goniothalamus undulatus Species Annonaceae Eukaryota UNPD*
NPO14280 Helichrysum angustifolium Species Asteraceae Eukaryota UNPD*
NPO13692 Leontice kiangnanensis Species Berberidaceae Eukaryota UNPD*
NPO11072 Geigeria schinzii Species Asteraceae Eukaryota UNPD*
NPO14602 Vitex negundo Species Lamiaceae Eukaryota UNPD*
NPO2084 Acinetobacter calcoaceticus Species Moraxellaceae Bacteria UNPD*
NPO9965 Eurycoma longifolia Species Simaroubaceae Eukaryota UNPD*
NPO8220 Russula sardonia Species Russulaceae Eukaryota UNPD*
NPO20383 Stenocereus thurberi Species Cactaceae Eukaryota UNPD*
NPO9644 Euphorbia resinifera Species Euphorbiaceae Eukaryota UNPD*
NPO3924 Penicillium alutaceum Species Aspergillaceae Eukaryota UNPD*
NPO13798 Cheilanthes marantae Species Pteridaceae Eukaryota UNPD*
NPO6626 Pteris spinulosa Species Pteridaceae Eukaryota UNPD*
NPO12890 Ophryosporus charua Species Asteraceae Eukaryota UNPD*
NPO12577 Pinus glauca Species Pinaceae Eukaryota UNPD*
NPO13604 Dermocybe cardinalis Species Cortinariaceae Eukaryota UNPD*
NPO9024 Aralidium pinnatifidum Species Torricelliaceae Eukaryota UNPD*
NPO1418 Boletinus paluster Species Gyrodontaceae Eukaryota UNPD*
NPO22888 Lophiostoma vaginatispora Species Lophiostomataceae Eukaryota UNPD*
NPO9375 Medium grandiflorum NA NA NA UNPD*
NPO20318 Acinetobacter baumannii Species Moraxellaceae Bacteria UNPD*
NPO11530 Heterosigma akashiwo Species Chattonellaceae Eukaryota UNPD*
NPO893 Helichrysum sutherlandii Species Asteraceae Eukaryota UNPD*
NPO3576 Bersama swinnyi Species Melianthaceae Eukaryota UNPD*
NPO8820 Lophocereus marginatus Species Cactaceae Eukaryota UNPD*
NPO2505 Pachycereus pringlei Species Cactaceae Eukaryota UNPD*
NPO12026 Papaver radicatum Species Papaveraceae Eukaryota UNPD*
NPO5401 Monanchora unguiculata Species Crambeidae Eukaryota UNPD*
NPO8640 Nemuaron humboldtii Species Atherospermataceae Eukaryota UNPD*
NPO13494 Prosopis kuntzei Species Fabaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 3.144 ug/ml 1800638
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 2.978 ug/ml 1800638
NPT83 Cell Line MCF7 Homo sapiens ED50 > 20 ug/ml 14575431
NPT81 Cell Line A549 Homo sapiens ED50 > 20 ug/ml 14575431
NPT81 Cell Line A549 Homo sapiens Inhibition = 7 % 14575431
NPT83 Cell Line MCF7 Homo sapiens Inhibition = 15 % 14575431

  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 NPC60621 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
0.9082 High Similarity NPC232727
0.8957 High Similarity NPC260434
0.8942 High Similarity NPC122436
0.8841 High Similarity NPC213530
0.8841 High Similarity NPC193267
0.8725 High Similarity NPC167860
0.8725 High Similarity NPC123976
0.865 High Similarity NPC176538
0.8578 High Similarity NPC235685
0.8578 High Similarity NPC310118
0.8565 High Similarity NPC63971
0.8565 High Similarity NPC91868
0.8539 High Similarity NPC101350
0.848 Intermediate Similarity NPC285558
0.8465 Intermediate Similarity NPC19872
0.8429 Intermediate Similarity NPC152768
0.8429 Intermediate Similarity NPC148183
0.8418 Intermediate Similarity NPC62749
0.8413 Intermediate Similarity NPC87413
0.8406 Intermediate Similarity NPC174758
0.838 Intermediate Similarity NPC110151
0.8349 Intermediate Similarity NPC303658
0.8333 Intermediate Similarity NPC476287
0.8309 Intermediate Similarity NPC4687
0.8302 Intermediate Similarity NPC305984
0.8287 Intermediate Similarity NPC21638
0.8284 Intermediate Similarity NPC213308
0.8276 Intermediate Similarity NPC306376
0.8263 Intermediate Similarity NPC473041
0.8263 Intermediate Similarity NPC264285
0.8255 Intermediate Similarity NPC470799
0.8255 Intermediate Similarity NPC8022
0.8252 Intermediate Similarity NPC476138
0.8252 Intermediate Similarity NPC245816
0.8235 Intermediate Similarity NPC182222
0.823 Intermediate Similarity NPC174672
0.823 Intermediate Similarity NPC178858
0.823 Intermediate Similarity NPC185782
0.8199 Intermediate Similarity NPC118940
0.8195 Intermediate Similarity NPC121772
0.8191 Intermediate Similarity NPC46580
0.8182 Intermediate Similarity NPC39679
0.8177 Intermediate Similarity NPC251090
0.8177 Intermediate Similarity NPC13880
0.8169 Intermediate Similarity NPC274982
0.8168 Intermediate Similarity NPC307963
0.8164 Intermediate Similarity NPC223427
0.8131 Intermediate Similarity NPC84478
0.8113 Intermediate Similarity NPC316981
0.8113 Intermediate Similarity NPC26679
0.8111 Intermediate Similarity NPC16352
0.8107 Intermediate Similarity NPC315491
0.8107 Intermediate Similarity NPC45459
0.8106 Intermediate Similarity NPC78609
0.8104 Intermediate Similarity NPC11464
0.8102 Intermediate Similarity NPC174760
0.8084 Intermediate Similarity NPC170114
0.8077 Intermediate Similarity NPC476098
0.806 Intermediate Similarity NPC296527
0.8049 Intermediate Similarity NPC267928
0.8048 Intermediate Similarity NPC249583
0.8037 Intermediate Similarity NPC470549
0.8037 Intermediate Similarity NPC116238
0.803 Intermediate Similarity NPC324149
0.8027 Intermediate Similarity NPC473105
0.802 Intermediate Similarity NPC76748
0.8019 Intermediate Similarity NPC315957
0.8009 Intermediate Similarity NPC82548
0.8009 Intermediate Similarity NPC266249
0.8009 Intermediate Similarity NPC194740
0.8 Intermediate Similarity NPC319232
0.8 Intermediate Similarity NPC24370
0.8 Intermediate Similarity NPC184680
0.8 Intermediate Similarity NPC330009
0.7991 Intermediate Similarity NPC471080
0.7991 Intermediate Similarity NPC469592
0.799 Intermediate Similarity NPC53144
0.798 Intermediate Similarity NPC92111
0.7974 Intermediate Similarity NPC148889
0.7972 Intermediate Similarity NPC74360
0.7965 Intermediate Similarity NPC470785
0.7965 Intermediate Similarity NPC470784
0.7963 Intermediate Similarity NPC169402
0.7962 Intermediate Similarity NPC183777
0.7962 Intermediate Similarity NPC88008
0.7956 Intermediate Similarity NPC295228
0.7952 Intermediate Similarity NPC470500
0.7952 Intermediate Similarity NPC475070
0.7944 Intermediate Similarity NPC264176
0.7944 Intermediate Similarity NPC472098
0.7936 Intermediate Similarity NPC472099
0.7934 Intermediate Similarity NPC123839
0.7934 Intermediate Similarity NPC5145
0.7926 Intermediate Similarity NPC247803
0.7926 Intermediate Similarity NPC96321
0.7925 Intermediate Similarity NPC475910
0.7917 Intermediate Similarity NPC3207
0.7915 Intermediate Similarity NPC300156
0.7915 Intermediate Similarity NPC258048
0.7907 Intermediate Similarity NPC221100
0.7907 Intermediate Similarity NPC234078
0.7907 Intermediate Similarity NPC266931
0.7885 Intermediate Similarity NPC476167
0.788 Intermediate Similarity NPC27041
0.7879 Intermediate Similarity NPC111275
0.7877 Intermediate Similarity NPC193238
0.7874 Intermediate Similarity NPC70956
0.7874 Intermediate Similarity NPC156704
0.7874 Intermediate Similarity NPC243834
0.7872 Intermediate Similarity NPC53534
0.7861 Intermediate Similarity NPC284678
0.786 Intermediate Similarity NPC310211
0.786 Intermediate Similarity NPC308137
0.7854 Intermediate Similarity NPC323969
0.7854 Intermediate Similarity NPC150239
0.7848 Intermediate Similarity NPC471762
0.7848 Intermediate Similarity NPC314954
0.7847 Intermediate Similarity NPC329747
0.7844 Intermediate Similarity NPC469594
0.7841 Intermediate Similarity NPC15801
0.784 Intermediate Similarity NPC287208
0.7837 Intermediate Similarity NPC192315
0.7824 Intermediate Similarity NPC89508
0.7822 Intermediate Similarity NPC469554
0.782 Intermediate Similarity NPC200836
0.7814 Intermediate Similarity NPC208284
0.7793 Intermediate Similarity NPC321428
0.7789 Intermediate Similarity NPC96890
0.7788 Intermediate Similarity NPC323752
0.7783 Intermediate Similarity NPC295452
0.7783 Intermediate Similarity NPC171393
0.7778 Intermediate Similarity NPC131017
0.7778 Intermediate Similarity NPC276517
0.7773 Intermediate Similarity NPC199277
0.7773 Intermediate Similarity NPC135887
0.7773 Intermediate Similarity NPC57398
0.7767 Intermediate Similarity NPC471304
0.7767 Intermediate Similarity NPC85273
0.7767 Intermediate Similarity NPC99666
0.7763 Intermediate Similarity NPC46561
0.7751 Intermediate Similarity NPC67288
0.775 Intermediate Similarity NPC72980
0.7748 Intermediate Similarity NPC229893
0.7743 Intermediate Similarity NPC101543
0.7743 Intermediate Similarity NPC474192
0.7743 Intermediate Similarity NPC207686
0.7743 Intermediate Similarity NPC475720
0.7736 Intermediate Similarity NPC165599
0.7734 Intermediate Similarity NPC314002
0.7723 Intermediate Similarity NPC48938
0.7723 Intermediate Similarity NPC176127
0.7718 Intermediate Similarity NPC138370
0.7717 Intermediate Similarity NPC312645
0.7716 Intermediate Similarity NPC81939
0.7713 Intermediate Similarity NPC179287
0.7703 Intermediate Similarity NPC141454
0.77 Intermediate Similarity NPC132539
0.7696 Intermediate Similarity NPC315555
0.7689 Intermediate Similarity NPC66777
0.7689 Intermediate Similarity NPC311906
0.7685 Intermediate Similarity NPC204717
0.7682 Intermediate Similarity NPC475666
0.7682 Intermediate Similarity NPC184408
0.7676 Intermediate Similarity NPC152620
0.7671 Intermediate Similarity NPC469928
0.7665 Intermediate Similarity NPC78020
0.7664 Intermediate Similarity NPC45190
0.7662 Intermediate Similarity NPC99891
0.7662 Intermediate Similarity NPC55772
0.7658 Intermediate Similarity NPC473317
0.7656 Intermediate Similarity NPC242209
0.765 Intermediate Similarity NPC267885
0.7647 Intermediate Similarity NPC292958
0.7647 Intermediate Similarity NPC208084
0.7644 Intermediate Similarity NPC106937
0.7639 Intermediate Similarity NPC469589
0.7635 Intermediate Similarity NPC220765
0.7634 Intermediate Similarity NPC125597
0.7628 Intermediate Similarity NPC244741
0.7628 Intermediate Similarity NPC193777
0.7628 Intermediate Similarity NPC270918
0.7619 Intermediate Similarity NPC475816
0.7613 Intermediate Similarity NPC276657
0.761 Intermediate Similarity NPC171171
0.7608 Intermediate Similarity NPC326634
0.7606 Intermediate Similarity NPC291535
0.7606 Intermediate Similarity NPC211813
0.7606 Intermediate Similarity NPC475085
0.7606 Intermediate Similarity NPC475112
0.7606 Intermediate Similarity NPC295898
0.7604 Intermediate Similarity NPC470020
0.76 Intermediate Similarity NPC149155
0.76 Intermediate Similarity NPC110500
0.76 Intermediate Similarity NPC470018
0.76 Intermediate Similarity NPC203468
0.7598 Intermediate Similarity NPC97902
0.7594 Intermediate Similarity NPC234197
0.7586 Intermediate Similarity NPC161887
0.7585 Intermediate Similarity NPC165964
0.7583 Intermediate Similarity NPC72211

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC60621 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
0.8756 High Similarity NPD2921 Clinical (unspecified phase)
0.8444 Intermediate Similarity NPD5482 Discontinued
0.8348 Intermediate Similarity NPD5483 Clinical (unspecified phase)
0.8168 Intermediate Similarity NPD1038 Approved
0.8107 Intermediate Similarity NPD484 Approved
0.8038 Intermediate Similarity NPD4795 Phase 2
0.8019 Intermediate Similarity NPD1739 Approved
0.8019 Intermediate Similarity NPD1740 Approved
0.8017 Intermediate Similarity NPD5450 Discontinued
0.8009 Intermediate Similarity NPD5658 Approved
0.799 Intermediate Similarity NPD1304 Clinical (unspecified phase)
0.7936 Intermediate Similarity NPD6242 Discontinued
0.7877 Intermediate Similarity NPD1392 Approved
0.7867 Intermediate Similarity NPD7558 Phase 2
0.7844 Intermediate Similarity NPD3354 Phase 2
0.7798 Intermediate Similarity NPD7823 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD7069 Discontinued
0.7763 Intermediate Similarity NPD5632 Approved
0.7752 Intermediate Similarity NPD5612 Discontinued
0.7746 Intermediate Similarity NPD4862 Clinical (unspecified phase)
0.7743 Intermediate Similarity NPD4885 Approved
0.7733 Intermediate Similarity NPD5801 Clinical (unspecified phase)
0.7703 Intermediate Similarity NPD6824 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD4558 Phase 2
0.7682 Intermediate Similarity NPD8405 Clinical (unspecified phase)
0.7664 Intermediate Similarity NPD3003 Approved
0.765 Intermediate Similarity NPD7470 Discontinued
0.765 Intermediate Similarity NPD749 Clinical (unspecified phase)
0.7644 Intermediate Similarity NPD802 Phase 2
0.76 Intermediate Similarity NPD7603 Discontinued
0.76 Intermediate Similarity NPD482 Approved
0.7593 Intermediate Similarity NPD2510 Approved
0.7593 Intermediate Similarity NPD2509 Approved
0.7586 Intermediate Similarity NPD6790 Phase 1
0.7577 Intermediate Similarity NPD8512 Phase 3
0.757 Intermediate Similarity NPD2121 Clinical (unspecified phase)
0.7563 Intermediate Similarity NPD4926 Clinical (unspecified phase)
0.7555 Intermediate Similarity NPD4373 Phase 2
0.7547 Intermediate Similarity NPD3825 Phase 3
0.7547 Intermediate Similarity NPD1768 Approved
0.7536 Intermediate Similarity NPD5003 Discontinued
0.7536 Intermediate Similarity NPD7948 Phase 1
0.7535 Intermediate Similarity NPD5901 Discontinued
0.7532 Intermediate Similarity NPD4958 Clinical (unspecified phase)
0.7524 Intermediate Similarity NPD4418 Discontinued
0.7522 Intermediate Similarity NPD7426 Phase 1
0.7512 Intermediate Similarity NPD2096 Phase 2
0.7512 Intermediate Similarity NPD2091 Phase 2
0.751 Intermediate Similarity NPD7956 Approved
0.751 Intermediate Similarity NPD7955 Approved
0.75 Intermediate Similarity NPD4952 Phase 3
0.7489 Intermediate Similarity NPD3259 Approved
0.7489 Intermediate Similarity NPD3006 Discontinued
0.7489 Intermediate Similarity NPD5067 Phase 2
0.7489 Intermediate Similarity NPD5066 Phase 2
0.7488 Intermediate Similarity NPD5512 Phase 3
0.7479 Intermediate Similarity NPD6530 Approved
0.7479 Intermediate Similarity NPD6531 Approved
0.7476 Intermediate Similarity NPD4889 Approved
0.7476 Intermediate Similarity NPD5575 Clinical (unspecified phase)
0.7466 Intermediate Similarity NPD5417 Clinical (unspecified phase)
0.7465 Intermediate Similarity NPD4118 Clinical (unspecified phase)
0.7463 Intermediate Similarity NPD2094 Phase 2
0.7463 Intermediate Similarity NPD2092 Phase 2
0.7463 Intermediate Similarity NPD2095 Phase 2
0.7458 Intermediate Similarity NPD5488 Discontinued
0.7456 Intermediate Similarity NPD5559 Phase 2
0.7444 Intermediate Similarity NPD4429 Discontinued
0.7441 Intermediate Similarity NPD3324 Clinical (unspecified phase)
0.7431 Intermediate Similarity NPD2189 Approved
0.7431 Intermediate Similarity NPD2187 Approved
0.743 Intermediate Similarity NPD4396 Clinical (unspecified phase)
0.7421 Intermediate Similarity NPD1322 Clinical (unspecified phase)
0.7419 Intermediate Similarity NPD5601 Phase 2
0.7411 Intermediate Similarity NPD7194 Discontinued
0.7407 Intermediate Similarity NPD6228 Discontinued
0.7387 Intermediate Similarity NPD5902 Approved
0.7387 Intermediate Similarity NPD5903 Approved
0.7379 Intermediate Similarity NPD5728 Clinical (unspecified phase)
0.7376 Intermediate Similarity NPD750 Phase 2
0.7373 Intermediate Similarity NPD5426 Phase 3
0.7364 Intermediate Similarity NPD8101 Phase 3
0.7364 Intermediate Similarity NPD6525 Clinical (unspecified phase)
0.7358 Intermediate Similarity NPD7803 Approved
0.7354 Intermediate Similarity NPD3393 Approved
0.7354 Intermediate Similarity NPD3394 Approved
0.7354 Intermediate Similarity NPD3389 Approved
0.7353 Intermediate Similarity NPD6276 Discontinued
0.7352 Intermediate Similarity NPD2916 Discontinued
0.7349 Intermediate Similarity NPD4500 Approved
0.7349 Intermediate Similarity NPD4501 Approved
0.7346 Intermediate Similarity NPD6569 Phase 2
0.7346 Intermediate Similarity NPD3924 Approved
0.7346 Intermediate Similarity NPD3923 Approved
0.7346 Intermediate Similarity NPD3922 Approved
0.7346 Intermediate Similarity NPD3921 Approved
0.7336 Intermediate Similarity NPD7268 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD2565 Phase 2
0.7333 Intermediate Similarity NPD2564 Approved
0.7331 Intermediate Similarity NPD6473 Phase 1
0.733 Intermediate Similarity NPD7414 Clinical (unspecified phase)
0.733 Intermediate Similarity NPD6567 Clinical (unspecified phase)
0.733 Intermediate Similarity NPD4203 Approved
0.733 Intermediate Similarity NPD4204 Approved
0.7328 Intermediate Similarity NPD6494 Phase 2
0.7325 Intermediate Similarity NPD8091 Phase 3
0.7313 Intermediate Similarity NPD6872 Clinical (unspecified phase)
0.7313 Intermediate Similarity NPD6160 Clinical (unspecified phase)
0.7306 Intermediate Similarity NPD7222 Phase 2
0.73 Intermediate Similarity NPD7068 Approved
0.73 Intermediate Similarity NPD7067 Approved
0.7297 Intermediate Similarity NPD3815 Phase 1
0.7297 Intermediate Similarity NPD3816 Phase 1
0.7296 Intermediate Similarity NPD6964 Approved
0.7296 Intermediate Similarity NPD6963 Approved
0.728 Intermediate Similarity NPD8358 Approved
0.7273 Intermediate Similarity NPD5022 Discontinued
0.7269 Intermediate Similarity NPD8363 Approved
0.7269 Intermediate Similarity NPD8364 Approved
0.7269 Intermediate Similarity NPD4600 Approved
0.7269 Intermediate Similarity NPD4601 Approved
0.7265 Intermediate Similarity NPD7571 Clinical (unspecified phase)
0.726 Intermediate Similarity NPD5530 Phase 1
0.7258 Intermediate Similarity NPD4442 Phase 2
0.7257 Intermediate Similarity NPD3258 Approved
0.7256 Intermediate Similarity NPD4987 Clinical (unspecified phase)
0.7253 Intermediate Similarity NPD2472 Approved
0.7253 Intermediate Similarity NPD5040 Clinical (unspecified phase)
0.7253 Intermediate Similarity NPD2471 Approved
0.7238 Intermediate Similarity NPD8100 Phase 3
0.7228 Intermediate Similarity NPD2844 Phase 3
0.7227 Intermediate Similarity NPD6838 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD8365 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD7689 Approved
0.7209 Intermediate Similarity NPD1622 Discontinued
0.7209 Intermediate Similarity NPD2952 Discontinued
0.7196 Intermediate Similarity NPD3395 Approved
0.7196 Intermediate Similarity NPD3396 Approved
0.7195 Intermediate Similarity NPD7708 Approved
0.7185 Intermediate Similarity NPD6716 Phase 1
0.7175 Intermediate Similarity NPD949 Phase 1
0.7175 Intermediate Similarity NPD5416 Discontinued
0.7175 Intermediate Similarity NPD3570 Phase 2
0.7171 Intermediate Similarity NPD5065 Approved
0.7167 Intermediate Similarity NPD6962 Phase 2
0.7165 Intermediate Similarity NPD8466 Approved
0.7165 Intermediate Similarity NPD8465 Approved
0.7165 Intermediate Similarity NPD8467 Approved
0.7162 Intermediate Similarity NPD1856 Discontinued
0.7156 Intermediate Similarity NPD3257 Approved
0.7156 Intermediate Similarity NPD6140 Clinical (unspecified phase)
0.715 Intermediate Similarity NPD1620 Clinical (unspecified phase)
0.7149 Intermediate Similarity NPD7453 Approved
0.7149 Intermediate Similarity NPD5930 Phase 3
0.7149 Intermediate Similarity NPD8284 Discontinued
0.7149 Intermediate Similarity NPD7452 Approved
0.7149 Intermediate Similarity NPD5429 Discontinued
0.7143 Intermediate Similarity NPD7000 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4548 Discontinued
0.7143 Intermediate Similarity NPD3330 Phase 1
0.7143 Intermediate Similarity NPD6999 Discontinued
0.7137 Intermediate Similarity NPD6985 Discontinued
0.7136 Intermediate Similarity NPD4036 Approved
0.7136 Intermediate Similarity NPD4035 Approved
0.7136 Intermediate Similarity NPD4033 Approved
0.7136 Intermediate Similarity NPD31 Approved
0.7136 Intermediate Similarity NPD4037 Approved
0.7136 Intermediate Similarity NPD4122 Approved
0.7136 Intermediate Similarity NPD32 Approved
0.7136 Intermediate Similarity NPD4034 Approved
0.7136 Intermediate Similarity NPD4038 Approved
0.7136 Intermediate Similarity NPD4039 Approved
0.7136 Intermediate Similarity NPD3397 Phase 2
0.7136 Intermediate Similarity NPD3947 Discontinued
0.7131 Intermediate Similarity NPD7729 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD6306 Phase 2
0.7124 Intermediate Similarity NPD6969 Phase 2
0.7124 Intermediate Similarity NPD6968 Phase 2
0.7124 Intermediate Similarity NPD5479 Discontinued
0.7119 Intermediate Similarity NPD4454 Phase 2
0.7118 Intermediate Similarity NPD5147 Discontinued
0.7116 Intermediate Similarity NPD6861 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD5018 Phase 3
0.7105 Intermediate Similarity NPD3402 Phase 1
0.7104 Intermediate Similarity NPD7001 Phase 3
0.7104 Intermediate Similarity NPD8403 Phase 1
0.7103 Intermediate Similarity NPD4372 Phase 1
0.7102 Intermediate Similarity NPD8442 Discontinued
0.7102 Intermediate Similarity NPD8247 Approved
0.7102 Intermediate Similarity NPD8246 Approved
0.7101 Intermediate Similarity NPD8017 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD7025 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD8016 Phase 3
0.7098 Intermediate Similarity NPD4131 Phase 3
0.7095 Intermediate Similarity NPD6178 Phase 3
0.7094 Intermediate Similarity NPD7284 Clinical (unspecified phase)
0.709 Intermediate Similarity NPD7859 Phase 2
0.7089 Intermediate Similarity NPD4499 Approved
0.7087 Intermediate Similarity NPD1954 Phase 1
0.7085 Intermediate Similarity NPD276 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   12082492
ChEMBL   CHEMBL504997
ZINC  

Physicochemical Properties

Molecular Weight:  270.10
ALogP:  -0.4216
MLogP:  2.56
XLogP:  1.788
# Rotatable Bonds:  6
Polar Surface Area:  75.21
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  20

Download Data

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