Natural Product: NPC252960

Natural Product ID:  NPC252960
Common Name:   Pretazettine
IUPAC Name:  
Synonyms:   Pretazettine
Molecular Formula:   C18H21NO5
Standard InCHIKey:  KLJOYDMUWKSYBP-WXNLUCNWSA-N
Standard InCHI:  InChI=1S/C18H21NO5/c1-19-8-16-18(4-3-10(21-2)5-15(18)19)12-7-14-13(22-9-23-14)6-11(12)17(20)24-16/h3-4,6-7,10,15-17,20H,5,8-9H2,1-2H3/t10-,15+,16+,17?,18+/m1/s1
Canonical SMILES:  CO[C@@H]1C=C[C@]23[C@H](C1)N(C)C[C@@H]2OC(c1c3cc2OCOc2c1)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
NPO27843 Lycoris radiata Species Amaryllidaceae Eukaryota TCMID*
NPO4166 Pancratium biflorum Species Amaryllidaceae Eukaryota TCMID*
NPO9942.1 Narcissus tazetta var. chinensis Varieties Amaryllidaceae Eukaryota TCMID*
NPO10671 Zephyranthes candida Species Amaryllidaceae Eukaryota TCMID*
NPO33168 amaryllidaceae isoquinoline Species Amaryllidaceae Eukaryota PMID[1336040]
NPO7850.1 Schisandra propinqua var. intermedia Varieties Schisandraceae Eukaryota TCMID*
NPO9927 Crinum asiaticum Species Amaryllidaceae Eukaryota TCMID*
NPO17954 Narcissus tazetta Species Amaryllidaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT33 Organism Japanese encephalitis virus Japanese encephalitis virus IC50 = 0.6 ug/ml 1336040
NPT4327 Organism Yellow fever virus Yellow fever virus IC50 = 0.5 ug/ml 1336040
NPT341 Organism Punta Toro virus Punta Toro virus IC50 = 0.61 ug/ml 1336040
NPT4329 Organism Rift Valley fever virus Rift Valley fever virus IC50 = 2.9 ug/ml 1336040
NPT4330 Organism Sandfly fever sicilian virus Sandfly fever sicilian virus IC50 = 0.82 ug/ml 1336040

  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 NPC252960 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
0.9805 High Similarity NPC218614
0.9437 High Similarity NPC477640
0.9437 High Similarity NPC225597
0.9437 High Similarity NPC470739
0.9375 High Similarity NPC474475
0.9313 High Similarity NPC58766
0.9313 High Similarity NPC475686
0.9313 High Similarity NPC82533
0.9313 High Similarity NPC290759
0.9313 High Similarity NPC266176
0.9313 High Similarity NPC158148
0.9177 High Similarity NPC4304
0.9146 High Similarity NPC474470
0.8938 High Similarity NPC97072
0.8938 High Similarity NPC215829
0.8922 High Similarity NPC244554
0.8896 High Similarity NPC100566
0.8889 High Similarity NPC247972
0.881 High Similarity NPC99179
0.878 High Similarity NPC181653
0.878 High Similarity NPC190332
0.872 High Similarity NPC476002
0.8712 High Similarity NPC320104
0.869 High Similarity NPC237044
0.8688 High Similarity NPC78733
0.8683 High Similarity NPC2314
0.8675 High Similarity NPC311991
0.8639 High Similarity NPC474325
0.8631 High Similarity NPC304675
0.8588 High Similarity NPC474745
0.8563 High Similarity NPC75958
0.8545 High Similarity NPC180306
0.8529 High Similarity NPC15919
0.8528 High Similarity NPC92191
0.8528 High Similarity NPC59028
0.8506 High Similarity NPC141440
0.8497 Intermediate Similarity NPC9867
0.8443 Intermediate Similarity NPC474324
0.8443 Intermediate Similarity NPC57812
0.8439 Intermediate Similarity NPC475981
0.8439 Intermediate Similarity NPC474746
0.8412 Intermediate Similarity NPC49353
0.8405 Intermediate Similarity NPC147091
0.8402 Intermediate Similarity NPC65403
0.8393 Intermediate Similarity NPC475845
0.8343 Intermediate Similarity NPC230098
0.8343 Intermediate Similarity NPC474708
0.8333 Intermediate Similarity NPC156576
0.8314 Intermediate Similarity NPC148693
0.8314 Intermediate Similarity NPC294790
0.8314 Intermediate Similarity NPC118633
0.8304 Intermediate Similarity NPC187678
0.8294 Intermediate Similarity NPC57272
0.8276 Intermediate Similarity NPC248642
0.8253 Intermediate Similarity NPC165797
0.8253 Intermediate Similarity NPC205167
0.8253 Intermediate Similarity NPC249274
0.8221 Intermediate Similarity NPC148898
0.8167 Intermediate Similarity NPC33256
0.8166 Intermediate Similarity NPC124657
0.8161 Intermediate Similarity NPC126284
0.8129 Intermediate Similarity NPC474953
0.8118 Intermediate Similarity NPC150879
0.8118 Intermediate Similarity NPC301189
0.8118 Intermediate Similarity NPC298186
0.8098 Intermediate Similarity NPC274026
0.8086 Intermediate Similarity NPC475959
0.8084 Intermediate Similarity NPC69360
0.8072 Intermediate Similarity NPC323443
0.8072 Intermediate Similarity NPC180756
0.8024 Intermediate Similarity NPC148014
0.8024 Intermediate Similarity NPC40389
0.8024 Intermediate Similarity NPC78359
0.8024 Intermediate Similarity NPC65490
0.8024 Intermediate Similarity NPC315707
0.8 Intermediate Similarity NPC238530
0.8 Intermediate Similarity NPC233029
0.8 Intermediate Similarity NPC223124
0.8 Intermediate Similarity NPC232514
0.8 Intermediate Similarity NPC276944
0.8 Intermediate Similarity NPC210148
0.7976 Intermediate Similarity NPC111485
0.7966 Intermediate Similarity NPC275132
0.7966 Intermediate Similarity NPC233718
0.7964 Intermediate Similarity NPC31311
0.7964 Intermediate Similarity NPC234392
0.7956 Intermediate Similarity NPC94499
0.7941 Intermediate Similarity NPC233650
0.7933 Intermediate Similarity NPC214116
0.7904 Intermediate Similarity NPC216459
0.7904 Intermediate Similarity NPC138487
0.7904 Intermediate Similarity NPC41178
0.7898 Intermediate Similarity NPC114364
0.7898 Intermediate Similarity NPC320223
0.7895 Intermediate Similarity NPC231198
0.7895 Intermediate Similarity NPC134858
0.7892 Intermediate Similarity NPC82285
0.7892 Intermediate Similarity NPC471073
0.7892 Intermediate Similarity NPC133011
0.7892 Intermediate Similarity NPC270811
0.7879 Intermediate Similarity NPC223125
0.787 Intermediate Similarity NPC477080
0.7865 Intermediate Similarity NPC102760
0.7861 Intermediate Similarity NPC160570
0.7857 Intermediate Similarity NPC160931
0.7857 Intermediate Similarity NPC146288
0.7857 Intermediate Similarity NPC37205
0.7848 Intermediate Similarity NPC174191
0.7826 Intermediate Similarity NPC474432
0.7826 Intermediate Similarity NPC475713
0.7824 Intermediate Similarity NPC18402
0.7818 Intermediate Similarity NPC211296
0.7811 Intermediate Similarity NPC129603
0.7809 Intermediate Similarity NPC305847
0.7803 Intermediate Similarity NPC210140
0.7803 Intermediate Similarity NPC210918
0.7803 Intermediate Similarity NPC247389
0.7796 Intermediate Similarity NPC474427
0.7791 Intermediate Similarity NPC130926
0.7791 Intermediate Similarity NPC89199
0.7791 Intermediate Similarity NPC185838
0.7791 Intermediate Similarity NPC54125
0.7784 Intermediate Similarity NPC128560
0.7784 Intermediate Similarity NPC199465
0.7784 Intermediate Similarity NPC229166
0.7778 Intermediate Similarity NPC80472
0.7771 Intermediate Similarity NPC219671
0.7771 Intermediate Similarity NPC104077
0.7771 Intermediate Similarity NPC147616
0.7771 Intermediate Similarity NPC259742
0.7765 Intermediate Similarity NPC476575
0.7765 Intermediate Similarity NPC474650
0.7765 Intermediate Similarity NPC302449
0.7759 Intermediate Similarity NPC182257
0.7758 Intermediate Similarity NPC428
0.7758 Intermediate Similarity NPC24233
0.7758 Intermediate Similarity NPC246587
0.7758 Intermediate Similarity NPC147390
0.7758 Intermediate Similarity NPC135538
0.7758 Intermediate Similarity NPC476571
0.7753 Intermediate Similarity NPC475794
0.7746 Intermediate Similarity NPC329717
0.7746 Intermediate Similarity NPC219341
0.7746 Intermediate Similarity NPC198741
0.7746 Intermediate Similarity NPC24264
0.7746 Intermediate Similarity NPC476432
0.7737 Intermediate Similarity NPC11708
0.7735 Intermediate Similarity NPC162694
0.7733 Intermediate Similarity NPC59567
0.7733 Intermediate Similarity NPC293871
0.7733 Intermediate Similarity NPC124433
0.773 Intermediate Similarity NPC477898
0.7714 Intermediate Similarity NPC329911
0.7709 Intermediate Similarity NPC474607
0.7702 Intermediate Similarity NPC156376
0.7701 Intermediate Similarity NPC304846
0.7701 Intermediate Similarity NPC298979
0.7697 Intermediate Similarity NPC321505
0.7697 Intermediate Similarity NPC476151
0.7697 Intermediate Similarity NPC191376
0.7697 Intermediate Similarity NPC179825
0.7692 Intermediate Similarity NPC76079
0.7692 Intermediate Similarity NPC237579
0.7688 Intermediate Similarity NPC70290
0.7688 Intermediate Similarity NPC73020
0.7688 Intermediate Similarity NPC167546
0.7688 Intermediate Similarity NPC14622
0.7688 Intermediate Similarity NPC46744
0.7688 Intermediate Similarity NPC193528
0.7688 Intermediate Similarity NPC124302
0.7688 Intermediate Similarity NPC76116
0.7688 Intermediate Similarity NPC169743
0.7688 Intermediate Similarity NPC302527
0.7688 Intermediate Similarity NPC16805
0.7688 Intermediate Similarity NPC215098
0.7688 Intermediate Similarity NPC225774
0.7684 Intermediate Similarity NPC329969
0.7683 Intermediate Similarity NPC84181
0.7673 Intermediate Similarity NPC11147
0.7669 Intermediate Similarity NPC246947
0.7663 Intermediate Similarity NPC117717
0.7654 Intermediate Similarity NPC188163
0.7654 Intermediate Similarity NPC149285
0.7654 Intermediate Similarity NPC328750
0.7654 Intermediate Similarity NPC213206
0.7654 Intermediate Similarity NPC267408
0.7654 Intermediate Similarity NPC474915
0.764 Intermediate Similarity NPC35680
0.764 Intermediate Similarity NPC241704
0.764 Intermediate Similarity NPC283999
0.7636 Intermediate Similarity NPC22150
0.7636 Intermediate Similarity NPC18979
0.7636 Intermediate Similarity NPC279298
0.7636 Intermediate Similarity NPC38041
0.7625 Intermediate Similarity NPC18576
0.7625 Intermediate Similarity NPC7018
0.7625 Intermediate Similarity NPC135777
0.7625 Intermediate Similarity NPC142547
0.7624 Intermediate Similarity NPC135772
0.7619 Intermediate Similarity NPC286135

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC252960 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
0.8397 Intermediate Similarity NPD4236 Phase 3
0.8397 Intermediate Similarity NPD4237 Approved
0.8293 Intermediate Similarity NPD2978 Approved
0.8293 Intermediate Similarity NPD2977 Approved
0.8225 Intermediate Similarity NPD2970 Approved
0.8225 Intermediate Similarity NPD2969 Approved
0.8182 Intermediate Similarity NPD5772 Approved
0.8182 Intermediate Similarity NPD5773 Approved
0.8176 Intermediate Similarity NPD5241 Discontinued
0.807 Intermediate Similarity NPD27 Approved
0.807 Intermediate Similarity NPD2489 Approved
0.8059 Intermediate Similarity NPD3051 Approved
0.8024 Intermediate Similarity NPD2563 Approved
0.8024 Intermediate Similarity NPD2560 Approved
0.8012 Intermediate Similarity NPD6783 Clinical (unspecified phase)
0.7988 Intermediate Similarity NPD4210 Discontinued
0.7953 Intermediate Similarity NPD6071 Discontinued
0.795 Intermediate Similarity NPD5084 Clinical (unspecified phase)
0.7933 Intermediate Similarity NPD7243 Clinical (unspecified phase)
0.7877 Intermediate Similarity NPD4663 Approved
0.7861 Intermediate Similarity NPD4481 Phase 3
0.7857 Intermediate Similarity NPD6818 Clinical (unspecified phase)
0.7833 Intermediate Similarity NPD7906 Approved
0.7809 Intermediate Similarity NPD7311 Approved
0.7809 Intermediate Similarity NPD4577 Approved
0.7809 Intermediate Similarity NPD7313 Approved
0.7809 Intermediate Similarity NPD7312 Approved
0.7809 Intermediate Similarity NPD4578 Approved
0.7809 Intermediate Similarity NPD7310 Approved
0.7765 Intermediate Similarity NPD7309 Approved
0.7738 Intermediate Similarity NPD4772 Phase 2
0.7738 Intermediate Similarity NPD4773 Phase 2
0.7716 Intermediate Similarity NPD3060 Approved
0.7702 Intermediate Similarity NPD1375 Discontinued
0.7697 Intermediate Similarity NPD1754 Clinical (unspecified phase)
0.7688 Intermediate Similarity NPD4420 Approved
0.7676 Intermediate Similarity NPD5582 Discontinued
0.7665 Intermediate Similarity NPD3687 Approved
0.7665 Intermediate Similarity NPD3686 Approved
0.7654 Intermediate Similarity NPD4664 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD5006 Approved
0.7619 Intermediate Similarity NPD5005 Approved
0.7609 Intermediate Similarity NPD7296 Approved
0.758 Intermediate Similarity NPD2669 Clinical (unspecified phase)
0.7578 Intermediate Similarity NPD1753 Discontinued
0.75 Intermediate Similarity NPD4162 Approved
0.7485 Intermediate Similarity NPD4584 Approved
0.7484 Intermediate Similarity NPD554 Clinical (unspecified phase)
0.7473 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.746 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7447 Intermediate Similarity NPD2973 Approved
0.7447 Intermediate Similarity NPD2975 Approved
0.7447 Intermediate Similarity NPD2974 Approved
0.7438 Intermediate Similarity NPD2238 Phase 2
0.7414 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7412 Intermediate Similarity NPD4005 Discontinued
0.741 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.741 Intermediate Similarity NPD2677 Approved
0.741 Intermediate Similarity NPD3692 Discontinued
0.7403 Intermediate Similarity NPD3705 Approved
0.7386 Intermediate Similarity NPD6107 Approved
0.7382 Intermediate Similarity NPD2494 Approved
0.7382 Intermediate Similarity NPD2493 Approved
0.7381 Intermediate Similarity NPD4123 Phase 3
0.736 Intermediate Similarity NPD2898 Approved
0.7337 Intermediate Similarity NPD7527 Clinical (unspecified phase)
0.7337 Intermediate Similarity NPD52 Approved
0.7337 Intermediate Similarity NPD7526 Approved
0.7333 Intermediate Similarity NPD1372 Clinical (unspecified phase)
0.733 Intermediate Similarity NPD4580 Approved
0.7322 Intermediate Similarity NPD7281 Phase 3
0.7322 Intermediate Similarity NPD7280 Phase 3
0.7314 Intermediate Similarity NPD7832 Clinical (unspecified phase)
0.7314 Intermediate Similarity NPD7833 Phase 2
0.7314 Intermediate Similarity NPD7831 Phase 2
0.7301 Intermediate Similarity NPD6895 Approved
0.7301 Intermediate Similarity NPD6896 Approved
0.7296 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7292 Intermediate Similarity NPD3452 Approved
0.7292 Intermediate Similarity NPD3450 Approved
0.7289 Intermediate Similarity NPD5177 Phase 3
0.7283 Intermediate Similarity NPD7945 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD2490 Approved
0.7273 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD2488 Approved
0.7268 Intermediate Similarity NPD4583 Approved
0.7268 Intermediate Similarity NPD4582 Approved
0.7262 Intermediate Similarity NPD7124 Phase 2
0.7256 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.7256 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.7253 Intermediate Similarity NPD7007 Discovery
0.7239 Intermediate Similarity NPD823 Approved
0.7239 Intermediate Similarity NPD817 Approved
0.7238 Intermediate Similarity NPD6042 Phase 2
0.7238 Intermediate Similarity NPD42 Phase 2
0.7232 Intermediate Similarity NPD7201 Clinical (unspecified phase)
0.7229 Intermediate Similarity NPD7037 Approved
0.7228 Intermediate Similarity NPD2968 Approved
0.7228 Intermediate Similarity NPD2971 Approved
0.7219 Intermediate Similarity NPD1774 Approved
0.7216 Intermediate Similarity NPD4002 Approved
0.7216 Intermediate Similarity NPD5604 Discontinued
0.7216 Intermediate Similarity NPD4004 Approved
0.7208 Intermediate Similarity NPD1357 Approved
0.7205 Intermediate Similarity NPD5718 Phase 2
0.7193 Intermediate Similarity NPD2122 Discontinued
0.7193 Intermediate Similarity NPD4727 Phase 1
0.7189 Intermediate Similarity NPD8054 Approved
0.7189 Intermediate Similarity NPD8053 Approved
0.7176 Intermediate Similarity NPD4160 Clinical (unspecified phase)
0.7175 Intermediate Similarity NPD5709 Phase 3
0.7168 Intermediate Similarity NPD4678 Approved
0.7168 Intermediate Similarity NPD4675 Approved
0.7164 Intermediate Similarity NPD7047 Phase 3
0.716 Intermediate Similarity NPD1132 Approved
0.716 Intermediate Similarity NPD3122 Phase 3
0.716 Intermediate Similarity NPD1136 Approved
0.716 Intermediate Similarity NPD1130 Approved
0.7143 Intermediate Similarity NPD8156 Discontinued
0.7135 Intermediate Similarity NPD4666 Phase 3
0.7134 Intermediate Similarity NPD3052 Approved
0.7134 Intermediate Similarity NPD3054 Approved
0.712 Intermediate Similarity NPD7039 Approved
0.712 Intermediate Similarity NPD7038 Approved
0.7112 Intermediate Similarity NPD3857 Clinical (unspecified phase)
0.711 Intermediate Similarity NPD4017 Approved
0.7108 Intermediate Similarity NPD2161 Phase 2
0.7107 Intermediate Similarity NPD4103 Phase 2
0.7107 Intermediate Similarity NPD4104 Clinical (unspecified phase)
0.7099 Intermediate Similarity NPD598 Approved
0.7099 Intermediate Similarity NPD601 Approved
0.7099 Intermediate Similarity NPD597 Approved
0.7097 Intermediate Similarity NPD6851 Approved
0.7097 Intermediate Similarity NPD6853 Approved
0.7093 Intermediate Similarity NPD3639 Approved
0.7093 Intermediate Similarity NPD6030 Approved
0.7093 Intermediate Similarity NPD6031 Approved
0.7093 Intermediate Similarity NPD3641 Approved
0.7093 Intermediate Similarity NPD3640 Phase 3
0.7088 Intermediate Similarity NPD8099 Discontinued
0.7088 Intermediate Similarity NPD8252 Approved
0.7088 Intermediate Similarity NPD8251 Approved
0.7086 Intermediate Similarity NPD3384 Approved
0.7086 Intermediate Similarity NPD3382 Approved
0.7086 Intermediate Similarity NPD3383 Approved
0.7077 Intermediate Similarity NPD3057 Approved
0.7074 Intermediate Similarity NPD6841 Approved
0.7074 Intermediate Similarity NPD6843 Phase 3
0.7074 Intermediate Similarity NPD6842 Approved
0.7062 Intermediate Similarity NPD4965 Approved
0.7062 Intermediate Similarity NPD4967 Phase 2
0.7062 Intermediate Similarity NPD4966 Approved
0.7059 Intermediate Similarity NPD6667 Approved
0.7059 Intermediate Similarity NPD6666 Approved
0.7056 Intermediate Similarity NPD4010 Discontinued
0.705 Intermediate Similarity NPD5676 Approved
0.7048 Intermediate Similarity NPD4108 Discontinued
0.7043 Intermediate Similarity NPD3534 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD6331 Phase 2
0.7041 Intermediate Similarity NPD6658 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD3179 Approved
0.7037 Intermediate Similarity NPD3180 Approved
0.7035 Intermediate Similarity NPD5261 Clinical (unspecified phase)
0.7031 Intermediate Similarity NPD7667 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD2492 Phase 1
0.7029 Intermediate Similarity NPD6072 Discontinued
0.7025 Intermediate Similarity NPD2232 Approved
0.7025 Intermediate Similarity NPD2233 Approved
0.7025 Intermediate Similarity NPD2230 Approved
0.7015 Intermediate Similarity NPD7827 Phase 1
0.7012 Intermediate Similarity NPD3109 Approved
0.7012 Intermediate Similarity NPD3110 Approved
0.7012 Intermediate Similarity NPD3061 Approved
0.7012 Intermediate Similarity NPD3062 Approved
0.7012 Intermediate Similarity NPD3059 Approved
0.7005 Intermediate Similarity NPD5619 Clinical (unspecified phase)
0.6994 Remote Similarity NPD5976 Discontinued
0.699 Remote Similarity NPD3533 Approved
0.699 Remote Similarity NPD2972 Approved
0.6989 Remote Similarity NPD3936 Clinical (unspecified phase)
0.6989 Remote Similarity NPD7298 Approved
0.6988 Remote Similarity NPD6111 Discontinued
0.6982 Remote Similarity NPD6674 Discontinued
0.6981 Remote Similarity NPD4659 Approved
0.6978 Remote Similarity NPD6365 Clinical (unspecified phase)
0.6977 Remote Similarity NPD3536 Discontinued
0.6977 Remote Similarity NPD3158 Phase 1
0.6977 Remote Similarity NPD7019 Approved
0.6977 Remote Similarity NPD7020 Approved
0.6977 Remote Similarity NPD3157 Approved
0.6977 Remote Similarity NPD4739 Approved
0.6973 Remote Similarity NPD6297 Approved
0.697 Remote Similarity NPD7999 Approved
0.6957 Remote Similarity NPD6997 Phase 2
0.6957 Remote Similarity NPD5313 Approved
0.6957 Remote Similarity NPD5096 Phase 3
0.6957 Remote Similarity NPD6584 Phase 3
0.6957 Remote Similarity NPD5095 Phase 3
0.6957 Remote Similarity NPD5312 Approved
0.6951 Remote Similarity NPD3531 Approved

Structure

External Identifiers

PubChem CID   10314625
ChEMBL   CHEMBL606758
ZINC  

Physicochemical Properties

Molecular Weight:  331.14
ALogP:  -1.0508
MLogP:  2.78
XLogP:  0.462
# Rotatable Bonds:  4
Polar Surface Area:  60.39
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  24

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