Natural Product: NPC191863

Natural Product ID:  NPC191863
Common Name:   Cycloaspeptide A
IUPAC Name:   (4S,7S,10S,13S)-7-benzyl-13-[(4-hydroxyphenyl)methyl]-4,6,12-trimethyl-10-(2-methylpropyl)-3,6,9,12,15-pentazabicyclo[14.4.0]icosa-1(20),16,18-triene-2,5,8,11,14-pentone
Synonyms:  
Molecular Formula:   C36H43N5O6
Standard InCHIKey:  UPNQAUFZWGKHGZ-IAURBROLSA-N
Standard InCHI:  InChI=1S/C36H43N5O6/c1-22(2)19-29-36(47)41(5)31(21-25-15-17-26(42)18-16-25)33(44)38-28-14-10-9-13-27(28)32(43)37-23(3)35(46)40(4)30(34(45)39-29)20-24-11-7-6-8-12-24/h6-18,22-23,29-31,42H,19-21H2,1-5H3,(H,37,43)(H,38,44)(H,39,45)/t23-,29-,30-,31-/m0/s1
Canonical SMILES:  CC(C[C@@H]1N=C(O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)N=C(c2c(N=C([C@@H](N(C1=O)C)Cc1ccc(cc1)O)O)cccc2)O)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
NPO32533 penicillia sp. Species NA NA PMID[17067173]
NPO32895 tricothecium sp. Species NA NA PMID[17067173]
NPO10809 Isaria farinosa Species Cordycipitaceae Eukaryota Cordyceps-colonizing isolate of Isaria farinosa PMID[19572613]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT10 Individual Protein Geminin Homo sapiens Potency 16360.1 nM 23354071
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 18526 nM 22487595
NPT2 Others Unspecified Potency 14125.4 nM 12852746
NPT1038 Individual Protein Histone-lysine N-methyltransferase MLL Homo sapiens Potency = 70794.6 nM DrugMatrix in vivo data: Biochemistry
NPT2 Others Unspecified Potency 28183.8 nM 17958396
NPT2 Others Unspecified Potency 3548.1 nM PubChem BioAssay data set
NPT535 Individual Protein Parathyroid hormone receptor Homo sapiens Potency 50118.7 nM 22260294
NPT2 Others Unspecified Potency 16360.1 nM 15217281
NPT2779 Organism Spodoptera exigua Spodoptera exigua MIC > 500 ppm PubChem BioAssay data set
NPT536 Uncleic Acid microRNA 21 Homo sapiens Potency = 14689.2 nM 10.1007/s00044-012-0129-4
NPT165 Cell Line HeLa Homo sapiens GI50 = 31200 nM 15332867
NPT83 Cell Line MCF7 Homo sapiens GI50 = 23400 nM 15332867
NPT101 Individual Protein Glucagon-like peptide 1 receptor Homo sapiens Potency 10000 nM 19053514
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 3696.4 nM DrugMatrix in vivo data: Biochemistry
NPT2 Others Unspecified Potency 8912.5 nM 18562202
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 23109.3 nM 25510639
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 6510.4 nM DrugMatrix in vivo data: Pathology
NPT2 Others Unspecified Potency 14581 nM DrugMatrix in vivo data: Hematology
NPT2 Others Unspecified Potency 20596.2 nM 26317881
NPT536 Uncleic Acid microRNA 21 Homo sapiens Potency = 14689.2 nM 16643022
NPT48 Individual Protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 28183.8 nM 17296744

  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 NPC191863 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 NPC133470
1.0 High Similarity NPC289776
0.9257 High Similarity NPC254798
0.8397 Intermediate Similarity NPC233702
0.8258 Intermediate Similarity NPC16188
0.817 Intermediate Similarity NPC476989
0.8167 Intermediate Similarity NPC311357
0.8012 Intermediate Similarity NPC39822
0.8 Intermediate Similarity NPC202198
0.7988 Intermediate Similarity NPC158277
0.7987 Intermediate Similarity NPC473491
0.7904 Intermediate Similarity NPC328649
0.7892 Intermediate Similarity NPC189116
0.7892 Intermediate Similarity NPC223207
0.7844 Intermediate Similarity NPC471771
0.7844 Intermediate Similarity NPC290755
0.7844 Intermediate Similarity NPC304074
0.7798 Intermediate Similarity NPC141957
0.7778 Intermediate Similarity NPC56685
0.7778 Intermediate Similarity NPC279871
0.7771 Intermediate Similarity NPC241794
0.773 Intermediate Similarity NPC473460
0.7719 Intermediate Similarity NPC248670
0.7712 Intermediate Similarity NPC257390
0.7711 Intermediate Similarity NPC469243
0.7683 Intermediate Similarity NPC476268
0.7674 Intermediate Similarity NPC136797
0.767 Intermediate Similarity NPC294951
0.7669 Intermediate Similarity NPC262166
0.7669 Intermediate Similarity NPC5194
0.7669 Intermediate Similarity NPC261934
0.7662 Intermediate Similarity NPC244866
0.7661 Intermediate Similarity NPC230611
0.7651 Intermediate Similarity NPC244336
0.7644 Intermediate Similarity NPC269750
0.7644 Intermediate Similarity NPC194671
0.764 Intermediate Similarity NPC9373
0.7633 Intermediate Similarity NPC61004
0.7625 Intermediate Similarity NPC81026
0.7605 Intermediate Similarity NPC475544
0.7602 Intermediate Similarity NPC40234
0.7588 Intermediate Similarity NPC294516
0.7588 Intermediate Similarity NPC107938
0.758 Intermediate Similarity NPC242159
0.758 Intermediate Similarity NPC313694
0.7572 Intermediate Similarity NPC155506
0.7572 Intermediate Similarity NPC165285
0.7572 Intermediate Similarity NPC159767
0.7572 Intermediate Similarity NPC473402
0.7562 Intermediate Similarity NPC266741
0.7558 Intermediate Similarity NPC89831
0.7545 Intermediate Similarity NPC287757
0.7545 Intermediate Similarity NPC319320
0.7529 Intermediate Similarity NPC254700
0.7529 Intermediate Similarity NPC196243
0.7526 Intermediate Similarity NPC471561
0.7514 Intermediate Similarity NPC475532
0.75 Intermediate Similarity NPC473422
0.7485 Intermediate Similarity NPC302597
0.7484 Intermediate Similarity NPC326966
0.7471 Intermediate Similarity NPC63931
0.7471 Intermediate Similarity NPC476227
0.747 Intermediate Similarity NPC473580
0.747 Intermediate Similarity NPC244509
0.7459 Intermediate Similarity NPC473305
0.7459 Intermediate Similarity NPC163961
0.7443 Intermediate Similarity NPC119652
0.7443 Intermediate Similarity NPC97526
0.7443 Intermediate Similarity NPC45037
0.7432 Intermediate Similarity NPC470546
0.7429 Intermediate Similarity NPC50016
0.7414 Intermediate Similarity NPC306804
0.7414 Intermediate Similarity NPC137627
0.7414 Intermediate Similarity NPC273755
0.741 Intermediate Similarity NPC39431
0.7399 Intermediate Similarity NPC274198
0.7399 Intermediate Similarity NPC198254
0.7381 Intermediate Similarity NPC326349
0.7381 Intermediate Similarity NPC323336
0.7374 Intermediate Similarity NPC471050
0.7374 Intermediate Similarity NPC471048
0.7374 Intermediate Similarity NPC471049
0.7371 Intermediate Similarity NPC473354
0.7371 Intermediate Similarity NPC471165
0.7365 Intermediate Similarity NPC470545
0.7341 Intermediate Similarity NPC129486
0.7318 Intermediate Similarity NPC471526
0.7303 Intermediate Similarity NPC32064
0.7299 Intermediate Similarity NPC276506
0.7299 Intermediate Similarity NPC475204
0.7299 Intermediate Similarity NPC475123
0.7297 Intermediate Similarity NPC470544
0.7296 Intermediate Similarity NPC471531
0.7294 Intermediate Similarity NPC103250
0.7291 Intermediate Similarity NPC326363
0.729 Intermediate Similarity NPC473322
0.7278 Intermediate Similarity NPC184437
0.7273 Intermediate Similarity NPC26108
0.7273 Intermediate Similarity NPC17698
0.7273 Intermediate Similarity NPC164608
0.7268 Intermediate Similarity NPC471532
0.7253 Intermediate Similarity NPC94862
0.7241 Intermediate Similarity NPC280022
0.7238 Intermediate Similarity NPC315542
0.723 Intermediate Similarity NPC317254
0.7229 Intermediate Similarity NPC324081
0.7228 Intermediate Similarity NPC24370
0.7228 Intermediate Similarity NPC214142
0.7228 Intermediate Similarity NPC92803
0.7228 Intermediate Similarity NPC319232
0.72 Intermediate Similarity NPC46009
0.7198 Intermediate Similarity NPC276120
0.7197 Intermediate Similarity NPC255447
0.7197 Intermediate Similarity NPC120251
0.7192 Intermediate Similarity NPC118559
0.7192 Intermediate Similarity NPC304307
0.7192 Intermediate Similarity NPC124920
0.7192 Intermediate Similarity NPC261251
0.7192 Intermediate Similarity NPC34580
0.7179 Intermediate Similarity NPC111428
0.7174 Intermediate Similarity NPC174629
0.7169 Intermediate Similarity NPC245974
0.7167 Intermediate Similarity NPC476321
0.7157 Intermediate Similarity NPC100547
0.7152 Intermediate Similarity NPC247298
0.715 Intermediate Similarity NPC325976
0.7143 Intermediate Similarity NPC138083
0.7143 Intermediate Similarity NPC315388
0.7134 Intermediate Similarity NPC325651
0.7133 Intermediate Similarity NPC38458
0.7133 Intermediate Similarity NPC311737
0.7125 Intermediate Similarity NPC473360
0.7122 Intermediate Similarity NPC322135
0.7122 Intermediate Similarity NPC95240
0.7122 Intermediate Similarity NPC223409
0.712 Intermediate Similarity NPC18890
0.711 Intermediate Similarity NPC476231
0.7097 Intermediate Similarity NPC204970
0.7087 Intermediate Similarity NPC14288
0.7086 Intermediate Similarity NPC209463
0.7086 Intermediate Similarity NPC473502
0.7083 Intermediate Similarity NPC144691
0.7081 Intermediate Similarity NPC471195
0.7081 Intermediate Similarity NPC471196
0.707 Intermediate Similarity NPC296712
0.7069 Intermediate Similarity NPC472923
0.7067 Intermediate Similarity NPC82963
0.7062 Intermediate Similarity NPC328494
0.7053 Intermediate Similarity NPC321592
0.7053 Intermediate Similarity NPC54803
0.7045 Intermediate Similarity NPC186617
0.7043 Intermediate Similarity NPC473407
0.7043 Intermediate Similarity NPC473378
0.7039 Intermediate Similarity NPC283760
0.7029 Intermediate Similarity NPC471130
0.7027 Intermediate Similarity NPC234069
0.7019 Intermediate Similarity NPC323752
0.7019 Intermediate Similarity NPC323198
0.7019 Intermediate Similarity NPC284888
0.7017 Intermediate Similarity NPC153554
0.7013 Intermediate Similarity NPC474862
0.7006 Intermediate Similarity NPC473693
0.7006 Intermediate Similarity NPC471568
0.7 Intermediate Similarity NPC28945
0.7 Intermediate Similarity NPC285343
0.6989 Remote Similarity NPC61332
0.6989 Remote Similarity NPC174122
0.6989 Remote Similarity NPC29531
0.6989 Remote Similarity NPC240130
0.6989 Remote Similarity NPC64140
0.6988 Remote Similarity NPC473804
0.6986 Remote Similarity NPC245055
0.6986 Remote Similarity NPC33064
0.6975 Remote Similarity NPC6570
0.6974 Remote Similarity NPC220698
0.6968 Remote Similarity NPC328763
0.6962 Remote Similarity NPC469666
0.6959 Remote Similarity NPC471132
0.6951 Remote Similarity NPC150712
0.6948 Remote Similarity NPC71684
0.6947 Remote Similarity NPC471592
0.6946 Remote Similarity NPC119569
0.6938 Remote Similarity NPC220852
0.6937 Remote Similarity NPC45191
0.6936 Remote Similarity NPC104345
0.6933 Remote Similarity NPC118202
0.6928 Remote Similarity NPC319950
0.6923 Remote Similarity NPC475564
0.6923 Remote Similarity NPC170302
0.6923 Remote Similarity NPC475409
0.6923 Remote Similarity NPC271792
0.6918 Remote Similarity NPC478147
0.6914 Remote Similarity NPC88970
0.691 Remote Similarity NPC196091
0.6909 Remote Similarity NPC91953
0.6909 Remote Similarity NPC212850
0.6909 Remote Similarity NPC83289
0.6909 Remote Similarity NPC314113
0.6909 Remote Similarity NPC189724
0.6891 Remote Similarity NPC472329

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC191863 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
0.7866 Intermediate Similarity NPD7735 Clinical (unspecified phase)
0.7707 Intermediate Similarity NPD7450 Phase 2
0.7701 Intermediate Similarity NPD5445 Approved
0.7654 Intermediate Similarity NPD7617 Discontinued
0.7598 Intermediate Similarity NPD8025 Phase 2
0.7577 Intermediate Similarity NPD8405 Clinical (unspecified phase)
0.7561 Intermediate Similarity NPD7131 Phase 3
0.75 Intermediate Similarity NPD7303 Discontinued
0.7384 Intermediate Similarity NPD5823 Approved
0.7381 Intermediate Similarity NPD7118 Clinical (unspecified phase)
0.7371 Intermediate Similarity NPD7449 Clinical (unspecified phase)
0.7348 Intermediate Similarity NPD8103 Clinical (unspecified phase)
0.7294 Intermediate Similarity NPD6060 Clinical (unspecified phase)
0.7247 Intermediate Similarity NPD7695 Clinical (unspecified phase)
0.7233 Intermediate Similarity NPD2791 Discontinued
0.7226 Intermediate Similarity NPD7451 Discontinued
0.7225 Intermediate Similarity NPD8303 Discontinued
0.7195 Intermediate Similarity NPD5481 Discontinued
0.7193 Intermediate Similarity NPD4485 Approved
0.7143 Intermediate Similarity NPD2888 Approved
0.7143 Intermediate Similarity NPD2889 Approved
0.7143 Intermediate Similarity NPD2017 Approved
0.7143 Intermediate Similarity NPD2890 Approved
0.7135 Intermediate Similarity NPD8022 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD4430 Phase 2
0.7126 Intermediate Similarity NPD4432 Discontinued
0.7126 Intermediate Similarity NPD5556 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD6884 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD5729 Clinical (unspecified phase)
0.7102 Intermediate Similarity NPD4652 Approved
0.7091 Intermediate Similarity NPD7066 Clinical (unspecified phase)
0.7079 Intermediate Similarity NPD6824 Clinical (unspecified phase)
0.7069 Intermediate Similarity NPD6533 Clinical (unspecified phase)
0.7069 Intermediate Similarity NPD2098 Approved
0.7063 Intermediate Similarity NPD6346 Approved
0.7035 Intermediate Similarity NPD8019 Approved
0.7027 Intermediate Similarity NPD6608 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD6359 Clinical (unspecified phase)
0.7022 Intermediate Similarity NPD6607 Clinical (unspecified phase)
0.7012 Intermediate Similarity NPD6809 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD6707 Clinical (unspecified phase)
0.6994 Remote Similarity NPD6866 Clinical (unspecified phase)
0.6994 Remote Similarity NPD7599 Phase 2
0.6994 Remote Similarity NPD6867 Clinical (unspecified phase)
0.6994 Remote Similarity NPD6283 Phase 2
0.6988 Remote Similarity NPD6506 Clinical (unspecified phase)
0.6981 Remote Similarity NPD3136 Phase 2
0.6976 Remote Similarity NPD7603 Discontinued
0.6954 Remote Similarity NPD5599 Discontinued
0.6954 Remote Similarity NPD7600 Phase 2
0.6954 Remote Similarity NPD2097 Approved
0.6949 Remote Similarity NPD7485 Phase 3
0.6949 Remote Similarity NPD7484 Phase 3
0.694 Remote Similarity NPD7883 Discontinued
0.6932 Remote Similarity NPD3363 Clinical (unspecified phase)
0.6923 Remote Similarity NPD6878 Phase 2
0.6923 Remote Similarity NPD6879 Phase 2
0.6906 Remote Similarity NPD6159 Phase 2
0.6882 Remote Similarity NPD6141 Clinical (unspecified phase)
0.6872 Remote Similarity NPD4083 Discontinued
0.6866 Remote Similarity NPD8149 Discontinued
0.6865 Remote Similarity NPD5946 Clinical (unspecified phase)
0.686 Remote Similarity NPD5811 Approved
0.686 Remote Similarity NPD3229 Phase 2
0.6859 Remote Similarity NPD7948 Phase 1
0.6857 Remote Similarity NPD6063 Approved
0.6857 Remote Similarity NPD3558 Approved
0.6857 Remote Similarity NPD3557 Approved
0.6857 Remote Similarity NPD3556 Approved
0.6857 Remote Similarity NPD3559 Clinical (unspecified phase)
0.6857 Remote Similarity NPD3560 Approved
0.6845 Remote Similarity NPD6965 Clinical (unspecified phase)
0.6845 Remote Similarity NPD7602 Clinical (unspecified phase)
0.6839 Remote Similarity NPD6519 Phase 2
0.6839 Remote Similarity NPD7495 Discontinued
0.6837 Remote Similarity NPD7174 Clinical (unspecified phase)
0.6833 Remote Similarity NPD5078 Clinical (unspecified phase)
0.6829 Remote Similarity NPD8356 Approved
0.6826 Remote Similarity NPD6301 Phase 2
0.6826 Remote Similarity NPD5024 Approved
0.6825 Remote Similarity NPD7569 Approved
0.6825 Remote Similarity NPD7570 Approved
0.6821 Remote Similarity NPD5631 Phase 3
0.6816 Remote Similarity NPD7608 Discontinued
0.6816 Remote Similarity NPD7968 Clinical (unspecified phase)
0.6815 Remote Similarity NPD4659 Approved
0.6807 Remote Similarity NPD7978 Discontinued
0.6805 Remote Similarity NPD3141 Discontinued
0.6804 Remote Similarity NPD7566 Clinical (unspecified phase)
0.6802 Remote Similarity NPD2882 Phase 1
0.6802 Remote Similarity NPD6670 Clinical (unspecified phase)
0.6798 Remote Similarity NPD6767 Clinical (unspecified phase)
0.6791 Remote Similarity NPD4515 Suspended
0.6788 Remote Similarity NPD7810 Phase 3
0.6788 Remote Similarity NPD7811 Phase 3
0.6788 Remote Similarity NPD7728 Clinical (unspecified phase)
0.6786 Remote Similarity NPD5819 Phase 2
0.6782 Remote Similarity NPD2789 Approved
0.6779 Remote Similarity NPD8430 Approved
0.6774 Remote Similarity NPD6557 Phase 2
0.6774 Remote Similarity NPD6344 Clinical (unspecified phase)
0.6772 Remote Similarity NPD3125 Approved
0.6762 Remote Similarity NPD8106 Phase 2
0.6761 Remote Similarity NPD5967 Approved
0.6758 Remote Similarity NPD6645 Clinical (unspecified phase)
0.6757 Remote Similarity NPD7132 Clinical (unspecified phase)
0.6757 Remote Similarity NPD5522 Clinical (unspecified phase)
0.6755 Remote Similarity NPD5558 Clinical (unspecified phase)
0.6754 Remote Similarity NPD7686 Clinical (unspecified phase)
0.6747 Remote Similarity NPD6522 Clinical (unspecified phase)
0.6747 Remote Similarity NPD6897 Clinical (unspecified phase)
0.6747 Remote Similarity NPD3391 Approved
0.6746 Remote Similarity NPD8323 Discontinued
0.6746 Remote Similarity NPD5595 Clinical (unspecified phase)
0.6744 Remote Similarity NPD3277 Phase 3
0.6744 Remote Similarity NPD7523 Phase 3
0.674 Remote Similarity NPD3951 Phase 3
0.674 Remote Similarity NPD3952 Approved
0.674 Remote Similarity NPD3953 Clinical (unspecified phase)
0.6739 Remote Similarity NPD6833 Clinical (unspecified phase)
0.6735 Remote Similarity NPD3802 Phase 3
0.6731 Remote Similarity NPD3421 Phase 3
0.673 Remote Similarity NPD4103 Phase 2
0.673 Remote Similarity NPD4104 Clinical (unspecified phase)
0.6726 Remote Similarity NPD6860 Clinical (unspecified phase)
0.6722 Remote Similarity NPD5186 Approved
0.6722 Remote Similarity NPD5183 Approved
0.6721 Remote Similarity NPD3965 Phase 1
0.672 Remote Similarity NPD5923 Phase 1
0.6717 Remote Similarity NPD7263 Phase 2
0.6707 Remote Similarity NPD7720 Phase 2
0.6706 Remote Similarity NPD8290 Clinical (unspecified phase)
0.6705 Remote Similarity NPD4335 Clinical (unspecified phase)
0.6705 Remote Similarity NPD8315 Phase 1
0.6703 Remote Similarity NPD5200 Clinical (unspecified phase)
0.6703 Remote Similarity NPD5602 Clinical (unspecified phase)
0.6702 Remote Similarity NPD4539 Phase 1
0.6686 Remote Similarity NPD1968 Approved
0.6686 Remote Similarity NPD2468 Approved
0.6686 Remote Similarity NPD2469 Approved
0.6686 Remote Similarity NPD6078 Clinical (unspecified phase)
0.6686 Remote Similarity NPD1967 Approved
0.6685 Remote Similarity NPD7479 Phase 2
0.6684 Remote Similarity NPD6656 Clinical (unspecified phase)
0.6684 Remote Similarity NPD5849 Approved
0.6684 Remote Similarity NPD6795 Clinical (unspecified phase)
0.6683 Remote Similarity NPD2916 Discontinued
0.6667 Remote Similarity NPD7710 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6919 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7944 Discontinued
0.6667 Remote Similarity NPD7823 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2821 Approved
0.6667 Remote Similarity NPD6817 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6457 Approved
0.6667 Remote Similarity NPD5639 Clinical (unspecified phase)
0.6649 Remote Similarity NPD7889 Clinical (unspecified phase)
0.6649 Remote Similarity NPD6211 Clinical (unspecified phase)
0.6649 Remote Similarity NPD5937 Approved
0.6649 Remote Similarity NPD4372 Phase 1
0.6648 Remote Similarity NPD7011 Discontinued
0.6647 Remote Similarity NPD7910 Clinical (unspecified phase)
0.6647 Remote Similarity NPD7740 Clinical (unspecified phase)
0.6645 Remote Similarity NPD2228 Approved
0.6645 Remote Similarity NPD2234 Approved
0.6645 Remote Similarity NPD2229 Approved
0.6634 Remote Similarity NPD7225 Discontinued
0.6633 Remote Similarity NPD7817 Phase 1
0.6632 Remote Similarity NPD5896 Clinical (unspecified phase)
0.663 Remote Similarity NPD3793 Phase 3
0.6628 Remote Similarity NPD5941 Approved
0.6628 Remote Similarity NPD5942 Approved
0.6627 Remote Similarity NPD6636 Phase 3
0.6627 Remote Similarity NPD3555 Approved
0.6627 Remote Similarity NPD3554 Approved
0.6627 Remote Similarity NPD3553 Approved
0.6627 Remote Similarity NPD3552 Approved
0.6623 Remote Similarity NPD3123 Discovery
0.662 Remote Similarity NPD8016 Phase 3
0.662 Remote Similarity NPD8017 Clinical (unspecified phase)
0.6616 Remote Similarity NPD8114 Approved
0.6616 Remote Similarity NPD8115 Approved
0.6615 Remote Similarity NPD5547 Clinical (unspecified phase)
0.6615 Remote Similarity NPD6874 Approved
0.6614 Remote Similarity NPD6089 Clinical (unspecified phase)
0.6609 Remote Similarity NPD4003 Phase 3
0.6608 Remote Similarity NPD5839 Clinical (unspecified phase)
0.6603 Remote Similarity NPD4093 Discontinued
0.66 Remote Similarity NPD6376 Discontinued
0.6598 Remote Similarity NPD4423 Clinical (unspecified phase)
0.6597 Remote Similarity NPD5641 Discontinued
0.6595 Remote Similarity NPD7771 Discontinued
0.6591 Remote Similarity NPD7105 Phase 1
0.6591 Remote Similarity NPD6395 Phase 2
0.6591 Remote Similarity NPD6396 Clinical (unspecified phase)
0.659 Remote Similarity NPD5748 Phase 2
0.6588 Remote Similarity NPD6676 Phase 2
0.6587 Remote Similarity NPD8311 Discontinued
0.6587 Remote Similarity NPD6655 Clinical (unspecified phase)
0.6576 Remote Similarity NPD5603 Clinical (unspecified phase)
0.6575 Remote Similarity NPD4986 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   11296670
ChEMBL   CHEMBL473074
ZINC  

Physicochemical Properties

Molecular Weight:  641.32
ALogP:  -1.3939
MLogP:  4.21
XLogP:  7.54
# Rotatable Bonds:  15
Polar Surface Area:  158.62
# H-Bond Aceptor:  10
# H-Bond Donor:  4
# Rings:  4
# Heavy Atoms:  47

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Biological Activities  
Similar NPs/Drugs