Natural Product: NPC187255

Natural Product ID:  NPC187255
Common Name:   Pheophorbide A
IUPAC Name:  
Synonyms:  
Molecular Formula:   C35H36N4O5
Standard InCHIKey:  NSFSLUUZQIAOOX-QEWKCGBTSA-N
Standard InCHI:  InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36,39H,1,9-11H2,2-7H3,(H,40,41)/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-/t17-,21-,31+/m0/s1
Canonical SMILES:  COC(=O)[C@@H]1/C/2=C3/N=C([C@H]([C@@H]3CCC(=O)O)C)/C=c/3[nH]/c(=CC4=N/C(=Cc5[nH]c2c(C1=O)c5C)/C(=C4C)CC)/c(c3C)C=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
NPO2717 Vatica cinerea Species Dipterocarpaceae Eukaryota PMID[12608862]
NPO8063 Clerodendrum calamitosum Species Lamiaceae Eukaryota PMID[11473423]
NPO14864 Clerodendrum cyrtophyllum Species Lamiaceae Eukaryota PMID[11473423]
NPO25385 Virola venosa Species Myristicaceae Eukaryota UNPD*
NPO26149 Monilinia fructicola Species Sclerotiniaceae Eukaryota UNPD*
NPO23312 Matricaria aurea Species Asteraceae Eukaryota UNPD*
NPO26597 Gerbera asplenifolia Species Asteraceae Eukaryota UNPD*
NPO8001 Enterococcus faecium Species Enterococcaceae Bacteria UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT91 Cell Line KB Homo sapiens ED50 = 0.46 ug/ml 11473423
NPT309 Cell Line 1A9 Homo sapiens ED50 = 0.48 ug/ml 11473423
NPT2 Others Unspecified FC = 0.6 11473423
NPT2 Others Unspecified ED50 = 0.88 ug/ml 11473423
NPT916 Cell Line SK-MEL Homo sapiens ED50 = 0.91 ug/ml 11473423
NPT2 Others Unspecified FC = 1 11473423
NPT2 Others Unspecified FC = 1.1 11473423
NPT81 Cell Line A549 Homo sapiens ED50 = 1.5 ug/ml 11473423
NPT180 Cell Line HCT-8 Homo sapiens ED50 = 1.5 ug/ml 11473423
NPT83 Cell Line MCF7 Homo sapiens ED50 = 1.6 ug/ml 11473423
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 IC50 = 2500 nM 12608862
NPT2 Others Unspecified Ratio CC50/IC50 > 13 12608862
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 Inhibition = 80 % 24404757
NPT2620 Individual Protein Seed linoleate 9S-lipoxygenase Glycine max Inhibition = 6.5 % 24495846

  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 NPC187255 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
0.9839 High Similarity NPC257175
0.9409 High Similarity NPC195457
0.9163 High Similarity NPC27324
0.9163 High Similarity NPC268676
0.8986 High Similarity NPC475619
0.885 High Similarity NPC85702
0.87 High Similarity NPC473493
0.7801 Intermediate Similarity NPC287795
0.75 Intermediate Similarity NPC469743
0.7461 Intermediate Similarity NPC326479
0.7451 Intermediate Similarity NPC67551
0.7407 Intermediate Similarity NPC474412
0.7306 Intermediate Similarity NPC26491
0.7245 Intermediate Similarity NPC46359
0.7217 Intermediate Similarity NPC137589
0.7189 Intermediate Similarity NPC82370
0.7136 Intermediate Similarity NPC36405
0.7128 Intermediate Similarity NPC214106
0.7118 Intermediate Similarity NPC70155
0.7109 Intermediate Similarity NPC131887
0.7109 Intermediate Similarity NPC67288
0.7104 Intermediate Similarity NPC249428
0.7103 Intermediate Similarity NPC134848
0.7081 Intermediate Similarity NPC472295
0.7081 Intermediate Similarity NPC269886
0.7081 Intermediate Similarity NPC81802
0.7081 Intermediate Similarity NPC267343
0.7081 Intermediate Similarity NPC472210
0.7081 Intermediate Similarity NPC247735
0.707 Intermediate Similarity NPC132539
0.7062 Intermediate Similarity NPC227582
0.7059 Intermediate Similarity NPC117027
0.7042 Intermediate Similarity NPC252338
0.7039 Intermediate Similarity NPC160381
0.7019 Intermediate Similarity NPC154339
0.7014 Intermediate Similarity NPC472293
0.6995 Remote Similarity NPC74413
0.6991 Remote Similarity NPC314648
0.6991 Remote Similarity NPC229893
0.6981 Remote Similarity NPC141454
0.6977 Remote Similarity NPC476073
0.6977 Remote Similarity NPC260900
0.6971 Remote Similarity NPC473666
0.6971 Remote Similarity NPC175474
0.6971 Remote Similarity NPC221873
0.6967 Remote Similarity NPC202812
0.6963 Remote Similarity NPC214428
0.6957 Remote Similarity NPC99428
0.6953 Remote Similarity NPC15801
0.6952 Remote Similarity NPC472292
0.6951 Remote Similarity NPC312645
0.6946 Remote Similarity NPC111275
0.6944 Remote Similarity NPC165599
0.6941 Remote Similarity NPC284102
0.6934 Remote Similarity NPC11445
0.6927 Remote Similarity NPC244741
0.6927 Remote Similarity NPC315545
0.6927 Remote Similarity NPC314297
0.6916 Remote Similarity NPC472297
0.6916 Remote Similarity NPC472296
0.6916 Remote Similarity NPC241024
0.6909 Remote Similarity NPC234999
0.6898 Remote Similarity NPC162730
0.6898 Remote Similarity NPC193761
0.6898 Remote Similarity NPC474116
0.6892 Remote Similarity NPC31700
0.6892 Remote Similarity NPC89508
0.689 Remote Similarity NPC321708
0.6887 Remote Similarity NPC157828
0.6887 Remote Similarity NPC195239
0.6881 Remote Similarity NPC277350
0.6881 Remote Similarity NPC313796
0.6881 Remote Similarity NPC314855
0.6881 Remote Similarity NPC313345
0.6881 Remote Similarity NPC315638
0.6872 Remote Similarity NPC55493
0.6869 Remote Similarity NPC52557
0.6864 Remote Similarity NPC271862
0.6858 Remote Similarity NPC276657
0.6857 Remote Similarity NPC329858
0.6857 Remote Similarity NPC314333
0.6847 Remote Similarity NPC12344
0.6847 Remote Similarity NPC475778
0.684 Remote Similarity NPC304203
0.6833 Remote Similarity NPC314834
0.6829 Remote Similarity NPC55772
0.6828 Remote Similarity NPC2395
0.6826 Remote Similarity NPC469720
0.682 Remote Similarity NPC178858
0.6818 Remote Similarity NPC127677
0.6818 Remote Similarity NPC258062
0.6812 Remote Similarity NPC476818
0.6812 Remote Similarity NPC235885
0.6806 Remote Similarity NPC195461
0.6806 Remote Similarity NPC81654
0.6806 Remote Similarity NPC249150
0.6806 Remote Similarity NPC49196
0.6806 Remote Similarity NPC313985
0.6806 Remote Similarity NPC79129
0.6804 Remote Similarity NPC18661
0.6797 Remote Similarity NPC33949
0.6794 Remote Similarity NPC235684
0.6789 Remote Similarity NPC98715
0.6787 Remote Similarity NPC478158
0.6786 Remote Similarity NPC478157
0.6777 Remote Similarity NPC206967
0.6773 Remote Similarity NPC477065
0.6773 Remote Similarity NPC46225
0.6773 Remote Similarity NPC225821
0.6771 Remote Similarity NPC87856
0.6771 Remote Similarity NPC151976
0.6769 Remote Similarity NPC147446
0.6762 Remote Similarity NPC278434
0.6756 Remote Similarity NPC204491
0.6756 Remote Similarity NPC132211
0.6756 Remote Similarity NPC203614
0.6748 Remote Similarity NPC219336
0.6745 Remote Similarity NPC138370
0.6743 Remote Similarity NPC476874
0.6742 Remote Similarity NPC39679
0.6741 Remote Similarity NPC267965
0.6741 Remote Similarity NPC229348
0.6741 Remote Similarity NPC472291
0.6738 Remote Similarity NPC267853
0.6726 Remote Similarity NPC472285
0.6716 Remote Similarity NPC115232
0.6715 Remote Similarity NPC469896
0.6714 Remote Similarity NPC62749
0.6714 Remote Similarity NPC315555
0.6713 Remote Similarity NPC171317
0.6713 Remote Similarity NPC50503
0.6712 Remote Similarity NPC223791
0.6712 Remote Similarity NPC162860
0.6712 Remote Similarity NPC107077
0.6709 Remote Similarity NPC244897
0.6699 Remote Similarity NPC183662
0.6699 Remote Similarity NPC15573
0.6699 Remote Similarity NPC217372
0.6698 Remote Similarity NPC472116
0.6698 Remote Similarity NPC102592
0.6698 Remote Similarity NPC79356
0.6697 Remote Similarity NPC471944
0.6697 Remote Similarity NPC54420
0.6696 Remote Similarity NPC264285
0.6695 Remote Similarity NPC473187
0.6682 Remote Similarity NPC293917
0.6682 Remote Similarity NPC475847
0.6682 Remote Similarity NPC185742
0.6682 Remote Similarity NPC303951
0.6681 Remote Similarity NPC3207
0.6681 Remote Similarity NPC74969
0.6667 Remote Similarity NPC476460
0.6667 Remote Similarity NPC119006
0.6667 Remote Similarity NPC8104
0.6667 Remote Similarity NPC123019
0.6667 Remote Similarity NPC290529
0.6653 Remote Similarity NPC316411
0.6652 Remote Similarity NPC87413
0.6652 Remote Similarity NPC300156
0.6652 Remote Similarity NPC23294
0.6652 Remote Similarity NPC16352
0.6651 Remote Similarity NPC196251
0.6651 Remote Similarity NPC220151
0.6651 Remote Similarity NPC19692
0.6651 Remote Similarity NPC102338
0.6651 Remote Similarity NPC63199
0.6651 Remote Similarity NPC111602
0.6651 Remote Similarity NPC474121
0.665 Remote Similarity NPC267885
0.665 Remote Similarity NPC84347
0.665 Remote Similarity NPC78020
0.665 Remote Similarity NPC151635
0.6638 Remote Similarity NPC174760
0.6634 Remote Similarity NPC252572
0.6623 Remote Similarity NPC266192
0.6622 Remote Similarity NPC321428
0.6622 Remote Similarity NPC110182
0.662 Remote Similarity NPC83111
0.662 Remote Similarity NPC472112
0.6619 Remote Similarity NPC477003
0.6618 Remote Similarity NPC471943
0.6608 Remote Similarity NPC469928
0.6607 Remote Similarity NPC475165
0.6606 Remote Similarity NPC473376
0.6603 Remote Similarity NPC71037
0.6602 Remote Similarity NPC149155
0.6602 Remote Similarity NPC203468
0.6602 Remote Similarity NPC110500
0.6599 Remote Similarity NPC478083
0.6593 Remote Similarity NPC54744
0.6593 Remote Similarity NPC473547
0.6593 Remote Similarity NPC317752
0.6588 Remote Similarity NPC280290
0.6587 Remote Similarity NPC126709
0.6587 Remote Similarity NPC248041
0.6587 Remote Similarity NPC283219
0.6585 Remote Similarity NPC329982
0.6579 Remote Similarity NPC169402
0.6578 Remote Similarity NPC250129
0.6578 Remote Similarity NPC9894

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC187255 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
0.9734 High Similarity NPD7941 Phase 3
0.9137 High Similarity NPD8160 Phase 2
0.8607 High Similarity NPD8097 Phase 3
0.8607 High Similarity NPD8096 Phase 3
0.8442 Intermediate Similarity NPD8098 Approved
0.8442 Intermediate Similarity NPD56 Approved
0.8442 Intermediate Similarity NPD8283 Approved
0.8442 Intermediate Similarity NPD8282 Approved
0.8298 Intermediate Similarity NPD7865 Approved
0.8141 Intermediate Similarity NPD7946 Pre-registration
0.7874 Intermediate Similarity NPD8423 Phase 2
0.7874 Intermediate Similarity NPD8399 Phase 1
0.7732 Intermediate Similarity NPD7869 Discontinued
0.7604 Intermediate Similarity NPD7866 Approved
0.7513 Intermediate Similarity NPD2844 Phase 3
0.7461 Intermediate Similarity NPD7864 Approved
0.7371 Intermediate Similarity NPD7863 Approved
0.7075 Intermediate Similarity NPD8396 Approved
0.7075 Intermediate Similarity NPD8395 Approved
0.7062 Intermediate Similarity NPD5003 Discontinued
0.7044 Intermediate Similarity NPD8464 Clinical (unspecified phase)
0.7031 Intermediate Similarity NPD7882 Clinical (unspecified phase)
0.6996 Remote Similarity NPD7878 Phase 2
0.6991 Remote Similarity NPD5426 Phase 3
0.6986 Remote Similarity NPD5592 Clinical (unspecified phase)
0.695 Remote Similarity NPD1573 Approved
0.695 Remote Similarity NPD1575 Approved
0.6857 Remote Similarity NPD4499 Approved
0.6837 Remote Similarity NPD6999 Discontinued
0.6837 Remote Similarity NPD7000 Clinical (unspecified phase)
0.6818 Remote Similarity NPD2510 Approved
0.6818 Remote Similarity NPD2509 Approved
0.6806 Remote Similarity NPD4600 Approved
0.6806 Remote Similarity NPD4601 Approved
0.6804 Remote Similarity NPD7001 Phase 3
0.6802 Remote Similarity NPD7470 Discontinued
0.6787 Remote Similarity NPD4506 Discontinued
0.6779 Remote Similarity NPD2091 Phase 2
0.6779 Remote Similarity NPD2096 Phase 2
0.6777 Remote Similarity NPD2564 Approved
0.6777 Remote Similarity NPD2565 Phase 2
0.6771 Remote Similarity NPD6657 Clinical (unspecified phase)
0.6765 Remote Similarity NPD4736 Clinical (unspecified phase)
0.6758 Remote Similarity NPD3947 Discontinued
0.6758 Remote Similarity NPD5901 Discontinued
0.6742 Remote Similarity NPD7665 Phase 2
0.6742 Remote Similarity NPD7666 Phase 3
0.6731 Remote Similarity NPD2094 Phase 2
0.6731 Remote Similarity NPD2092 Phase 2
0.6731 Remote Similarity NPD2095 Phase 2
0.673 Remote Similarity NPD1534 Approved
0.6727 Remote Similarity NPD6732 Clinical (unspecified phase)
0.6726 Remote Similarity NPD7070 Clinical (unspecified phase)
0.6726 Remote Similarity NPD8013 Clinical (unspecified phase)
0.6696 Remote Similarity NPD4852 Phase 2
0.6682 Remote Similarity NPD4948 Discontinued
0.6682 Remote Similarity NPD7621 Clinical (unspecified phase)
0.6682 Remote Similarity NPD6987 Phase 1
0.6681 Remote Similarity NPD6292 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6770 Approved
0.6667 Remote Similarity NPD1631 Approved
0.6667 Remote Similarity NPD7688 Phase 1
0.6652 Remote Similarity NPD6160 Clinical (unspecified phase)
0.6652 Remote Similarity NPD6995 Phase 1
0.6651 Remote Similarity NPD5728 Clinical (unspecified phase)
0.6651 Remote Similarity NPD8248 Clinical (unspecified phase)
0.665 Remote Similarity NPD749 Clinical (unspecified phase)
0.6636 Remote Similarity NPD6176 Phase 1
0.6636 Remote Similarity NPD4987 Clinical (unspecified phase)
0.6607 Remote Similarity NPD7998 Clinical (unspecified phase)
0.6602 Remote Similarity NPD482 Approved
0.6583 Remote Similarity NPD276 Clinical (unspecified phase)
0.6561 Remote Similarity NPD2121 Clinical (unspecified phase)
0.656 Remote Similarity NPD7777 Approved
0.656 Remote Similarity NPD53 Approved
0.656 Remote Similarity NPD7778 Approved
0.6538 Remote Similarity NPD6164 Phase 2
0.6538 Remote Similarity NPD6165 Phase 2
0.6535 Remote Similarity NPD3394 Approved
0.6535 Remote Similarity NPD3389 Approved
0.6535 Remote Similarity NPD3393 Approved
0.6533 Remote Similarity NPD5257 Clinical (unspecified phase)
0.6532 Remote Similarity NPD2721 Clinical (unspecified phase)
0.6524 Remote Similarity NPD3178 Discontinued
0.6517 Remote Similarity NPD1630 Approved
0.6502 Remote Similarity NPD2715 Clinical (unspecified phase)
0.6496 Remote Similarity NPD7711 Discontinued
0.6491 Remote Similarity NPD8112 Clinical (unspecified phase)
0.6486 Remote Similarity NPD8072 Approved
0.6486 Remote Similarity NPD2920 Discontinued
0.6473 Remote Similarity NPD8322 Phase 2
0.6468 Remote Similarity NPD7818 Clinical (unspecified phase)
0.6463 Remote Similarity NPD6733 Discontinued
0.646 Remote Similarity NPD7825 Clinical (unspecified phase)
0.6447 Remote Similarity NPD7571 Clinical (unspecified phase)
0.6444 Remote Similarity NPD6487 Approved
0.6444 Remote Similarity NPD6486 Approved
0.6444 Remote Similarity NPD7232 Discontinued
0.6443 Remote Similarity NPD1592 Phase 3
0.6441 Remote Similarity NPD8073 Approved
0.6435 Remote Similarity NPD2336 Approved
0.6435 Remote Similarity NPD6630 Clinical (unspecified phase)
0.6429 Remote Similarity NPD8403 Phase 1
0.6429 Remote Similarity NPD6263 Clinical (unspecified phase)
0.6429 Remote Similarity NPD1587 Approved
0.6429 Remote Similarity NPD7957 Phase 1
0.6429 Remote Similarity NPD7958 Clinical (unspecified phase)
0.6425 Remote Similarity NPD4501 Approved
0.6425 Remote Similarity NPD4500 Approved
0.6398 Remote Similarity NPD6595 Phase 3
0.6394 Remote Similarity NPD750 Phase 2
0.6384 Remote Similarity NPD6323 Clinical (unspecified phase)
0.6372 Remote Similarity NPD7947 Clinical (unspecified phase)
0.6356 Remote Similarity NPD4862 Clinical (unspecified phase)
0.6355 Remote Similarity NPD2214 Approved
0.6355 Remote Similarity NPD2213 Approved
0.6351 Remote Similarity NPD5398 Clinical (unspecified phase)
0.6348 Remote Similarity NPD3757 Clinical (unspecified phase)
0.6341 Remote Similarity NPD5140 Approved
0.6341 Remote Similarity NPD5138 Approved
0.6338 Remote Similarity NPD5596 Phase 2
0.6335 Remote Similarity NPD4397 Phase 1
0.6333 Remote Similarity NPD4373 Phase 2
0.6332 Remote Similarity NPD7594 Clinical (unspecified phase)
0.6327 Remote Similarity NPD8493 Clinical (unspecified phase)
0.6321 Remote Similarity NPD5473 Discontinued
0.6318 Remote Similarity NPD2307 Discontinued
0.6316 Remote Similarity NPD7809 Clinical (unspecified phase)
0.6316 Remote Similarity NPD8358 Approved
0.6309 Remote Similarity NPD3258 Approved
0.6308 Remote Similarity NPD721 Approved
0.6304 Remote Similarity NPD3794 Approved
0.6304 Remote Similarity NPD3795 Approved
0.63 Remote Similarity NPD3833 Phase 3
0.63 Remote Similarity NPD3835 Phase 3
0.6298 Remote Similarity NPD4184 Clinical (unspecified phase)
0.6295 Remote Similarity NPD3773 Approved
0.6295 Remote Similarity NPD3774 Approved
0.6295 Remote Similarity NPD3775 Approved
0.6292 Remote Similarity NPD3746 Discontinued
0.6286 Remote Similarity NPD1586 Approved
0.6283 Remote Similarity NPD2008 Discontinued
0.6278 Remote Similarity NPD484 Approved
0.6278 Remote Similarity NPD2912 Approved
0.6278 Remote Similarity NPD2911 Approved
0.6276 Remote Similarity NPD4952 Phase 3
0.6271 Remote Similarity NPD6173 Approved
0.6266 Remote Similarity NPD7953 Approved
0.6266 Remote Similarity NPD7789 Approved
0.6266 Remote Similarity NPD7951 Approved
0.6266 Remote Similarity NPD7952 Approved
0.6266 Remote Similarity NPD7950 Approved
0.6266 Remote Similarity NPD7791 Approved
0.6266 Remote Similarity NPD7790 Approved
0.6261 Remote Similarity NPD7455 Approved
0.6261 Remote Similarity NPD7454 Approved
0.6261 Remote Similarity NPD2947 Clinical (unspecified phase)
0.6261 Remote Similarity NPD7605 Discovery
0.626 Remote Similarity NPD8427 Approved
0.626 Remote Similarity NPD8466 Approved
0.626 Remote Similarity NPD8465 Approved
0.626 Remote Similarity NPD8429 Approved
0.626 Remote Similarity NPD8428 Approved
0.626 Remote Similarity NPD8467 Approved
0.6256 Remote Similarity NPD1896 Approved
0.6256 Remote Similarity NPD5471 Phase 3
0.625 Remote Similarity NPD1343 Approved
0.6244 Remote Similarity NPD1643 Phase 3
0.6244 Remote Similarity NPD1291 Clinical (unspecified phase)
0.6234 Remote Similarity NPD8488 Clinical (unspecified phase)
0.6226 Remote Similarity NPD6642 Approved
0.6226 Remote Similarity NPD6641 Approved
0.6224 Remote Similarity NPD5151 Clinical (unspecified phase)
0.6223 Remote Similarity NPD8000 Clinical (unspecified phase)
0.6223 Remote Similarity NPD8406 Clinical (unspecified phase)
0.6222 Remote Similarity NPD5721 Clinical (unspecified phase)
0.622 Remote Similarity NPD7770 Phase 3
0.6217 Remote Similarity NPD5475 Discontinued
0.6217 Remote Similarity NPD6567 Clinical (unspecified phase)
0.6216 Remote Similarity NPD8364 Approved
0.6216 Remote Similarity NPD8363 Approved
0.6213 Remote Similarity NPD6242 Discontinued
0.6211 Remote Similarity NPD3507 Phase 2
0.6208 Remote Similarity NPD5801 Clinical (unspecified phase)
0.6207 Remote Similarity NPD5417 Clinical (unspecified phase)
0.6207 Remote Similarity NPD7970 Approved
0.6207 Remote Similarity NPD5293 Phase 2
0.6207 Remote Similarity NPD7707 Approved
0.6207 Remote Similarity NPD7971 Clinical (unspecified phase)
0.6204 Remote Similarity NPD6610 Clinical (unspecified phase)
0.6203 Remote Similarity NPD7661 Clinical (unspecified phase)
0.6201 Remote Similarity NPD7704 Clinical (unspecified phase)
0.6199 Remote Similarity NPD4602 Approved
0.6199 Remote Similarity NPD5975 Clinical (unspecified phase)
0.6197 Remote Similarity NPD5632 Approved
0.6197 Remote Similarity NPD3417 Phase 1
0.6192 Remote Similarity NPD7730 Approved
0.6192 Remote Similarity NPD7731 Approved
0.619 Remote Similarity NPD2411 Approved
0.619 Remote Similarity NPD8458 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL510103
ZINC  

Physicochemical Properties

Molecular Weight:  592.27
ALogP:  1.6568
MLogP:  4.32
XLogP:  4.352
# Rotatable Bonds:  14
Polar Surface Area:  138.03
# H-Bond Aceptor:  9
# H-Bond Donor:  3
# Rings:  6
# Heavy Atoms:  44

Download Data

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