Natural Product: NPC206736

Natural Product ID:  NPC206736
Common Name:   Ancistrocladidine
IUPAC Name:   2-[(3S)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinolin-7-yl]-8-methoxy-3-methylnaphthalen-1-ol
Synonyms:   Ancistrocladidine
Molecular Formula:   C25H27NO4
Standard InCHIKey:  CESMSNGGFQBVOV-AWEZNQCLSA-N
Standard InCHI:  InChI=1S/C25H27NO4/c1-13-10-16-8-7-9-18(28-4)22(16)24(27)20(13)23-19(29-5)12-17-11-14(2)26-15(3)21(17)25(23)30-6/h7-10,12,14,27H,11H2,1-6H3/t14-/m0/s1
Canonical SMILES:  COc1cc2C[C@H](C)N=C(c2c(c1c1c(C)cc2c(c1O)c(OC)ccc2)OC)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
NPO30588 Ancistrocladus tanzaniensis Species Ancistrocladaceae Eukaryota PMID[15165131]
NPO747 Ancistrocladus heyneanus Species Ancistrocladaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT841 Organism Leishmania major Leishmania major IC50 > 100000 nM 17088484
NPT32 Organism Mus musculus Mus musculus IC50 > 100000 nM 17088484
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 0.3 ug/ml 15165131
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 1.9 ug/ml 15165131
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi IC50 = 23.4 ug/ml 15165131
NPT844 Organism Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense IC50 = 2 ug/ml 15165131
NPT633 Organism Leishmania donovani Leishmania donovani IC50 = 2.9 ug/ml 15165131
NPT839 Cell Line L6 Rattus norvegicus MIC = 28.3 ug/ml 15165131

  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 NPC206736 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
1.0 High Similarity NPC195766
0.9592 High Similarity NPC276665
0.9592 High Similarity NPC265473
0.8765 High Similarity NPC231371
0.875 High Similarity NPC68328
0.8712 High Similarity NPC474051
0.8679 High Similarity NPC79402
0.8679 High Similarity NPC80759
0.8616 High Similarity NPC230956
0.8616 High Similarity NPC205255
0.8616 High Similarity NPC235143
0.8616 High Similarity NPC271388
0.8616 High Similarity NPC119649
0.8596 High Similarity NPC476565
0.8553 High Similarity NPC221864
0.8538 High Similarity NPC223236
0.8538 High Similarity NPC259350
0.8405 Intermediate Similarity NPC56887
0.8405 Intermediate Similarity NPC193853
0.8405 Intermediate Similarity NPC223077
0.8344 Intermediate Similarity NPC209377
0.8311 Intermediate Similarity NPC282508
0.8278 Intermediate Similarity NPC472649
0.8278 Intermediate Similarity NPC472647
0.8278 Intermediate Similarity NPC191462
0.8278 Intermediate Similarity NPC206525
0.8278 Intermediate Similarity NPC170328
0.8278 Intermediate Similarity NPC133463
0.8278 Intermediate Similarity NPC472648
0.825 Intermediate Similarity NPC123323
0.8231 Intermediate Similarity NPC215300
0.8231 Intermediate Similarity NPC38017
0.8224 Intermediate Similarity NPC71465
0.8224 Intermediate Similarity NPC472646
0.8212 Intermediate Similarity NPC258780
0.8212 Intermediate Similarity NPC37410
0.821 Intermediate Similarity NPC329837
0.8182 Intermediate Similarity NPC195392
0.8176 Intermediate Similarity NPC127402
0.8163 Intermediate Similarity NPC53781
0.8137 Intermediate Similarity NPC107602
0.8121 Intermediate Similarity NPC254000
0.8117 Intermediate Similarity NPC273623
0.8105 Intermediate Similarity NPC266006
0.8098 Intermediate Similarity NPC7393
0.8095 Intermediate Similarity NPC170485
0.8041 Intermediate Similarity NPC473221
0.8037 Intermediate Similarity NPC79328
0.8034 Intermediate Similarity NPC234318
0.8027 Intermediate Similarity NPC105718
0.8027 Intermediate Similarity NPC113495
0.8027 Intermediate Similarity NPC105031
0.8027 Intermediate Similarity NPC278955
0.8011 Intermediate Similarity NPC318805
0.8011 Intermediate Similarity NPC41122
0.8 Intermediate Similarity NPC308768
0.8 Intermediate Similarity NPC12668
0.7975 Intermediate Similarity NPC29647
0.7973 Intermediate Similarity NPC82299
0.7959 Intermediate Similarity NPC228503
0.7959 Intermediate Similarity NPC138248
0.7935 Intermediate Similarity NPC105847
0.7935 Intermediate Similarity NPC218131
0.7935 Intermediate Similarity NPC275061
0.7935 Intermediate Similarity NPC220344
0.7935 Intermediate Similarity NPC243996
0.7935 Intermediate Similarity NPC132804
0.7935 Intermediate Similarity NPC243759
0.7933 Intermediate Similarity NPC471518
0.7933 Intermediate Similarity NPC471519
0.7921 Intermediate Similarity NPC85381
0.7919 Intermediate Similarity NPC257269
0.7901 Intermediate Similarity NPC114124
0.7898 Intermediate Similarity NPC175838
0.7898 Intermediate Similarity NPC183709
0.7886 Intermediate Similarity NPC219170
0.7886 Intermediate Similarity NPC180253
0.7882 Intermediate Similarity NPC239775
0.7882 Intermediate Similarity NPC198075
0.7871 Intermediate Similarity NPC151656
0.7871 Intermediate Similarity NPC56329
0.7871 Intermediate Similarity NPC230919
0.7871 Intermediate Similarity NPC296898
0.7871 Intermediate Similarity NPC22902
0.7871 Intermediate Similarity NPC242715
0.7871 Intermediate Similarity NPC266453
0.7871 Intermediate Similarity NPC200935
0.7861 Intermediate Similarity NPC119068
0.7861 Intermediate Similarity NPC40496
0.7843 Intermediate Similarity NPC469610
0.784 Intermediate Similarity NPC52475
0.7829 Intermediate Similarity NPC160623
0.7829 Intermediate Similarity NPC8899
0.7829 Intermediate Similarity NPC471517
0.7829 Intermediate Similarity NPC473309
0.7824 Intermediate Similarity NPC118274
0.7824 Intermediate Similarity NPC168753
0.7816 Intermediate Similarity NPC195538
0.7816 Intermediate Similarity NPC230276
0.7806 Intermediate Similarity NPC205442
0.7806 Intermediate Similarity NPC202846
0.7806 Intermediate Similarity NPC30632
0.7806 Intermediate Similarity NPC143139
0.7799 Intermediate Similarity NPC5462
0.7791 Intermediate Similarity NPC275027
0.7791 Intermediate Similarity NPC18614
0.7778 Intermediate Similarity NPC469611
0.7771 Intermediate Similarity NPC165026
0.7771 Intermediate Similarity NPC73505
0.7771 Intermediate Similarity NPC34431
0.7771 Intermediate Similarity NPC295719
0.7771 Intermediate Similarity NPC476202
0.7771 Intermediate Similarity NPC276060
0.7759 Intermediate Similarity NPC474507
0.7755 Intermediate Similarity NPC476633
0.7751 Intermediate Similarity NPC90984
0.7742 Intermediate Similarity NPC158142
0.7742 Intermediate Similarity NPC69029
0.7742 Intermediate Similarity NPC200557
0.7742 Intermediate Similarity NPC111655
0.7742 Intermediate Similarity NPC10314
0.7742 Intermediate Similarity NPC241241
0.7742 Intermediate Similarity NPC294884
0.7742 Intermediate Similarity NPC108198
0.774 Intermediate Similarity NPC22928
0.7738 Intermediate Similarity NPC1229
0.7712 Intermediate Similarity NPC149337
0.7712 Intermediate Similarity NPC471983
0.7707 Intermediate Similarity NPC212942
0.7707 Intermediate Similarity NPC29868
0.7707 Intermediate Similarity NPC79622
0.7706 Intermediate Similarity NPC205421
0.7706 Intermediate Similarity NPC474931
0.7706 Intermediate Similarity NPC81218
0.7706 Intermediate Similarity NPC145832
0.7706 Intermediate Similarity NPC306555
0.7706 Intermediate Similarity NPC158376
0.7706 Intermediate Similarity NPC12053
0.7706 Intermediate Similarity NPC117188
0.7702 Intermediate Similarity NPC126291
0.7702 Intermediate Similarity NPC215678
0.7702 Intermediate Similarity NPC274454
0.7697 Intermediate Similarity NPC16577
0.7688 Intermediate Similarity NPC36732
0.7687 Intermediate Similarity NPC102639
0.7684 Intermediate Similarity NPC16357
0.7684 Intermediate Similarity NPC302245
0.7684 Intermediate Similarity NPC95426
0.7684 Intermediate Similarity NPC249996
0.7682 Intermediate Similarity NPC46978
0.7679 Intermediate Similarity NPC60186
0.7679 Intermediate Similarity NPC179250
0.7679 Intermediate Similarity NPC50380
0.7677 Intermediate Similarity NPC125649
0.7677 Intermediate Similarity NPC160697
0.7677 Intermediate Similarity NPC473107
0.7661 Intermediate Similarity NPC182257
0.7654 Intermediate Similarity NPC471032
0.7654 Intermediate Similarity NPC174251
0.7654 Intermediate Similarity NPC153182
0.7654 Intermediate Similarity NPC470935
0.7654 Intermediate Similarity NPC262297
0.7647 Intermediate Similarity NPC264850
0.7647 Intermediate Similarity NPC13916
0.7644 Intermediate Similarity NPC476577
0.7644 Intermediate Similarity NPC148709
0.7644 Intermediate Similarity NPC173416
0.7643 Intermediate Similarity NPC25111
0.7643 Intermediate Similarity NPC73535
0.7643 Intermediate Similarity NPC272157
0.7643 Intermediate Similarity NPC201145
0.7643 Intermediate Similarity NPC6262
0.7643 Intermediate Similarity NPC90615
0.764 Intermediate Similarity NPC474009
0.764 Intermediate Similarity NPC139783
0.764 Intermediate Similarity NPC65312
0.763 Intermediate Similarity NPC110374
0.763 Intermediate Similarity NPC289743
0.7628 Intermediate Similarity NPC313081
0.7619 Intermediate Similarity NPC103916
0.761 Intermediate Similarity NPC472089
0.761 Intermediate Similarity NPC265075
0.7607 Intermediate Similarity NPC77359
0.7598 Intermediate Similarity NPC22115
0.7598 Intermediate Similarity NPC275680
0.7597 Intermediate Similarity NPC244888
0.7597 Intermediate Similarity NPC164804
0.7597 Intermediate Similarity NPC15543
0.7597 Intermediate Similarity NPC293203
0.7597 Intermediate Similarity NPC472590
0.7597 Intermediate Similarity NPC118683
0.7597 Intermediate Similarity NPC68205
0.7597 Intermediate Similarity NPC211413
0.7595 Intermediate Similarity NPC184613
0.7593 Intermediate Similarity NPC233980
0.7588 Intermediate Similarity NPC96603
0.7588 Intermediate Similarity NPC212794
0.7588 Intermediate Similarity NPC13504
0.7588 Intermediate Similarity NPC136508
0.7588 Intermediate Similarity NPC78222

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC206736 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
0.8408 Intermediate Similarity NPD4005 Discontinued
0.8061 Intermediate Similarity NPD6746 Phase 2
0.7891 Intermediate Similarity NPD1669 Approved
0.7861 Intermediate Similarity NPD8453 Clinical (unspecified phase)
0.7831 Intermediate Similarity NPD4055 Discovery
0.7778 Intermediate Similarity NPD7493 Clinical (unspecified phase)
0.7725 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7697 Intermediate Similarity NPD4625 Phase 3
0.7677 Intermediate Similarity NPD4097 Suspended
0.7647 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7593 Intermediate Similarity NPD7447 Phase 1
0.7564 Intermediate Similarity NPD1772 Clinical (unspecified phase)
0.7562 Intermediate Similarity NPD6658 Clinical (unspecified phase)
0.7531 Intermediate Similarity NPD7212 Phase 2
0.7531 Intermediate Similarity NPD7213 Phase 3
0.7516 Intermediate Similarity NPD4908 Phase 1
0.7484 Intermediate Similarity NPD7477 Discontinued
0.7468 Intermediate Similarity NPD4108 Discontinued
0.7457 Intermediate Similarity NPD5822 Clinical (unspecified phase)
0.7453 Intermediate Similarity NPD6331 Phase 2
0.7439 Intermediate Similarity NPD5261 Clinical (unspecified phase)
0.7425 Intermediate Similarity NPD5089 Approved
0.7425 Intermediate Similarity NPD5090 Approved
0.7374 Intermediate Similarity NPD8053 Approved
0.7374 Intermediate Similarity NPD8054 Approved
0.7365 Intermediate Similarity NPD4678 Approved
0.7365 Intermediate Similarity NPD4675 Approved
0.7345 Intermediate Similarity NPD6996 Clinical (unspecified phase)
0.7342 Intermediate Similarity NPD2157 Approved
0.7326 Intermediate Similarity NPD7201 Clinical (unspecified phase)
0.7325 Intermediate Similarity NPD2238 Phase 2
0.7321 Intermediate Similarity NPD6072 Discontinued
0.7321 Intermediate Similarity NPD7438 Suspended
0.7308 Intermediate Similarity NPD6812 Clinical (unspecified phase)
0.7303 Intermediate Similarity NPD3676 Clinical (unspecified phase)
0.7301 Intermediate Similarity NPD3692 Discontinued
0.7262 Intermediate Similarity NPD6502 Phase 2
0.7251 Intermediate Similarity NPD4581 Clinical (unspecified phase)
0.7244 Intermediate Similarity NPD1024 Discontinued
0.7235 Intermediate Similarity NPD7046 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7175 Intermediate Similarity NPD8099 Discontinued
0.7175 Intermediate Similarity NPD8252 Approved
0.7175 Intermediate Similarity NPD8251 Approved
0.7168 Intermediate Similarity NPD5709 Phase 3
0.7152 Intermediate Similarity NPD840 Approved
0.7152 Intermediate Similarity NPD839 Approved
0.7135 Intermediate Similarity NPD42 Phase 2
0.7135 Intermediate Similarity NPD8156 Discontinued
0.7135 Intermediate Similarity NPD5929 Approved
0.7135 Intermediate Similarity NPD6042 Phase 2
0.7126 Intermediate Similarity NPD4666 Phase 3
0.7124 Intermediate Similarity NPD2232 Approved
0.7124 Intermediate Similarity NPD2230 Approved
0.7124 Intermediate Similarity NPD2233 Approved
0.712 Intermediate Similarity NPD7861 Discontinued
0.7118 Intermediate Similarity NPD3796 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD7037 Approved
0.7115 Intermediate Similarity NPD1712 Approved
0.7107 Intermediate Similarity NPD3109 Approved
0.7107 Intermediate Similarity NPD3110 Approved
0.7101 Intermediate Similarity NPD6523 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD5241 Discontinued
0.7078 Intermediate Similarity NPD4749 Approved
0.7078 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7066 Intermediate Similarity NPD4123 Phase 3
0.7065 Intermediate Similarity NPD7906 Approved
0.7059 Intermediate Similarity NPD1610 Phase 2
0.7055 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.7052 Intermediate Similarity NPD6788 Approved
0.7052 Intermediate Similarity NPD7773 Phase 2
0.7051 Intermediate Similarity NPD6584 Phase 3
0.7051 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD6666 Approved
0.7048 Intermediate Similarity NPD6667 Approved
0.7045 Intermediate Similarity NPD3051 Approved
0.7045 Intermediate Similarity NPD6232 Discontinued
0.7044 Intermediate Similarity NPD2674 Phase 3
0.7044 Intermediate Similarity NPD4475 Approved
0.7044 Intermediate Similarity NPD4474 Approved
0.7033 Intermediate Similarity NPD4577 Approved
0.7033 Intermediate Similarity NPD4578 Approved
0.703 Intermediate Similarity NPD7466 Approved
0.7026 Intermediate Similarity NPD8151 Discontinued
0.7025 Intermediate Similarity NPD3027 Phase 3
0.7024 Intermediate Similarity NPD4319 Phase 2
0.7024 Intermediate Similarity NPD6090 Discontinued
0.7022 Intermediate Similarity NPD5602 Clinical (unspecified phase)
0.702 Intermediate Similarity NPD1548 Phase 1
0.7019 Intermediate Similarity NPD2568 Approved
0.7019 Intermediate Similarity NPD4579 Clinical (unspecified phase)
0.7012 Intermediate Similarity NPD7596 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD4663 Approved
0.7006 Intermediate Similarity NPD2421 Approved
0.7006 Intermediate Similarity NPD2420 Approved
0.7006 Intermediate Similarity NPD2970 Approved
0.7006 Intermediate Similarity NPD2969 Approved
0.7 Intermediate Similarity NPD5837 Clinical (unspecified phase)
0.6989 Remote Similarity NPD6959 Discontinued
0.6988 Remote Similarity NPD5307 Clinical (unspecified phase)
0.6983 Remote Similarity NPD7177 Discontinued
0.6981 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6978 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6975 Remote Similarity NPD3554 Approved
0.6975 Remote Similarity NPD3553 Approved
0.6975 Remote Similarity NPD3555 Approved
0.6975 Remote Similarity NPD3552 Approved
0.6974 Remote Similarity NPD4093 Discontinued
0.697 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6966 Remote Similarity NPD2489 Approved
0.6966 Remote Similarity NPD27 Approved
0.6964 Remote Similarity NPD4584 Approved
0.6964 Remote Similarity NPD7019 Approved
0.6964 Remote Similarity NPD7446 Clinical (unspecified phase)
0.6964 Remote Similarity NPD4160 Clinical (unspecified phase)
0.6964 Remote Similarity NPD7020 Approved
0.6962 Remote Similarity NPD600 Approved
0.6962 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6962 Remote Similarity NPD596 Approved
0.6949 Remote Similarity NPD6747 Phase 1
0.6946 Remote Similarity NPD7124 Phase 2
0.694 Remote Similarity NPD7313 Approved
0.694 Remote Similarity NPD7312 Approved
0.694 Remote Similarity NPD7311 Approved
0.694 Remote Similarity NPD7310 Approved
0.6936 Remote Similarity NPD5773 Approved
0.6936 Remote Similarity NPD6818 Clinical (unspecified phase)
0.6936 Remote Similarity NPD5772 Approved
0.6933 Remote Similarity NPD1753 Discontinued
0.6933 Remote Similarity NPD709 Approved
0.6928 Remote Similarity NPD2667 Approved
0.6928 Remote Similarity NPD2668 Approved
0.6927 Remote Similarity NPD7473 Discontinued
0.6923 Remote Similarity NPD7526 Approved
0.6923 Remote Similarity NPD7527 Clinical (unspecified phase)
0.6923 Remote Similarity NPD52 Approved
0.6919 Remote Similarity NPD3778 Approved
0.6918 Remote Similarity NPD5156 Approved
0.6918 Remote Similarity NPD5155 Approved
0.6914 Remote Similarity NPD8070 Approved
0.6909 Remote Similarity NPD4664 Clinical (unspecified phase)
0.6905 Remote Similarity NPD4357 Discontinued
0.6902 Remote Similarity NPD7309 Approved
0.6899 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6894 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6894 Remote Similarity NPD1613 Approved
0.6891 Remote Similarity NPD6823 Phase 2
0.6886 Remote Similarity NPD2219 Phase 1
0.6885 Remote Similarity NPD7549 Discontinued
0.6875 Remote Similarity NPD5111 Phase 2
0.6875 Remote Similarity NPD3144 Approved
0.6875 Remote Similarity NPD5109 Approved
0.6875 Remote Similarity NPD5110 Phase 2
0.6875 Remote Similarity NPD3145 Approved
0.6872 Remote Similarity NPD6607 Clinical (unspecified phase)
0.6871 Remote Similarity NPD2200 Suspended
0.6868 Remote Similarity NPD7007 Discovery
0.686 Remote Similarity NPD5617 Suspended
0.6859 Remote Similarity NPD6583 Phase 3
0.6859 Remote Similarity NPD6582 Phase 2
0.6855 Remote Similarity NPD2605 Approved
0.6855 Remote Similarity NPD2606 Approved
0.6851 Remote Similarity NPD5844 Phase 1
0.6835 Remote Similarity NPD7451 Discontinued
0.6826 Remote Similarity NPD3400 Discontinued
0.6818 Remote Similarity NPD4626 Approved
0.6813 Remote Similarity NPD5557 Phase 1
0.6809 Remote Similarity NPD6656 Clinical (unspecified phase)
0.6807 Remote Similarity NPD3655 Clinical (unspecified phase)
0.6805 Remote Similarity NPD6087 Phase 1
0.6802 Remote Similarity NPD7261 Clinical (unspecified phase)
0.6802 Remote Similarity NPD8158 Clinical (unspecified phase)
0.6797 Remote Similarity NPD5303 Approved
0.6797 Remote Similarity NPD5304 Approved
0.6796 Remote Similarity NPD3909 Discontinued
0.6792 Remote Similarity NPD2861 Phase 2
0.6791 Remote Similarity NPD6842 Approved
0.6791 Remote Similarity NPD6843 Phase 3
0.6791 Remote Similarity NPD6841 Approved
0.6788 Remote Similarity NPD2161 Phase 2
0.6784 Remote Similarity NPD2122 Discontinued
0.6779 Remote Similarity NPD7654 Discontinued
0.6766 Remote Similarity NPD3060 Approved
0.6766 Remote Similarity NPD5177 Phase 3
0.6765 Remote Similarity NPD4378 Clinical (unspecified phase)
0.676 Remote Similarity NPD7315 Approved
0.676 Remote Similarity NPD4606 Clinical (unspecified phase)
0.675 Remote Similarity NPD3594 Approved
0.675 Remote Similarity NPD3595 Approved
0.6747 Remote Similarity NPD4726 Approved
0.6747 Remote Similarity NPD4725 Approved
0.6747 Remote Similarity NPD4721 Approved
0.6747 Remote Similarity NPD1375 Discontinued
0.6747 Remote Similarity NPD2174 Clinical (unspecified phase)
0.6746 Remote Similarity NPD3845 Phase 1
0.6743 Remote Similarity NPD4585 Approved
0.6736 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6735 Remote Similarity NPD2342 Discontinued
0.673 Remote Similarity NPD2195 Approved
0.673 Remote Similarity NPD2194 Approved

Structure

External Identifiers

PubChem CID   193880
ChEMBL   CHEMBL222436
ZINC  

Physicochemical Properties

Molecular Weight:  405.19
ALogP:  -0.1182
MLogP:  3.66
XLogP:  4.315
# Rotatable Bonds:  11
Polar Surface Area:  60.28
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  30

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