Natural Product: NPC49315

Natural Product ID:  NPC49315
Common Name:   Cryptophycin 175
IUPAC Name:   (3S,6R,10R,13E,16S)-10-[(3,5-dichloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(E,2R)-4-phenylbut-3-en-2-yl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
Synonyms:   Cryptophycin 175
Molecular Formula:   C35H42Cl2N2O7
Standard InCHIKey:  WTWQLCDDGYJOLG-GAWFYVAGSA-N
Standard InCHI:  InChI=1S/C35H42Cl2N2O7/c1-21(2)16-30-35(43)45-29(22(3)14-15-24-10-7-6-8-11-24)12-9-13-31(40)39-28(33(41)38-20-23(4)34(42)46-30)19-25-17-26(36)32(44-5)27(37)18-25/h6-11,13-15,17-18,21-23,28-30H,12,16,19-20H2,1-5H3,(H,38,41)(H,39,40)/b13-9+,15-14+/t22-,23-,28-,29+,30+/m1/s1
Canonical SMILES:  COc1c(Cl)cc(cc1Cl)C[C@H]1N=C(O)/C=C/C[C@H](OC(=O)[C@@H](OC(=O)[C@@H](CN=C1O)C)CC(C)C)[C@@H](/C=C/c1ccccc1)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
NPO7788 Rana catesbeiana Species Ranidae Eukaryota UNPD*
NPO10879 Lasius meridionalis Species Formicidae Eukaryota UNPD*
NPO1537 Vaccinium arctostaphylos Species Ericaceae Eukaryota UNPD*
NPO8811 Cytisus prolifer Species Fabaceae Eukaryota UNPD*
NPO19541 Smilax moranensis Species Smilacaceae Eukaryota UNPD*
NPO8945 Grevillea robusta Species Proteaceae Eukaryota UNPD*
NPO18618 Neurolaena lobata Species Asteraceae Eukaryota UNPD*
NPO8623 Anneissia japonica Species Comatulidae Eukaryota UNPD*
NPO5335 Nostoc sp Species Nostocaceae Bacteria UNPD*
NPO23436 Cladrastis sikokiana Species Fabaceae Eukaryota UNPD*
NPO4198 Ungernia vvedenskyi Species Amaryllidaceae Eukaryota UNPD*
NPO1969 Streptomyces pilosus Species Streptomycetaceae Bacteria UNPD*
NPO7240 Osteospermum oppositifolium Species Asteraceae Eukaryota UNPD*
NPO4541 Capnella lacertiliensis Species Nephtheidae Eukaryota UNPD*
NPO8426 Tinospora rumphii Species Menispermaceae Eukaryota UNPD*
NPO19804 Lycopodium saururus Species Lycopodiaceae Eukaryota UNPD*
NPO9705 Meyerozyma guilliermondii Species Debaryomycetaceae Eukaryota UNPD*
NPO834 Peperomia clusiifolia Species Piperaceae Eukaryota UNPD*
NPO28833 Eleutherococcus sieboldianus Species Araliaceae Eukaryota UNPD*
NPO12744 Ajuga nipponensis Species Lamiaceae Eukaryota UNPD*
NPO3613 Eriobotrya deflexa Species Rosaceae Eukaryota UNPD*
NPO8305 Katsuwonus pelamis Species Scombridae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT114 Cell Line LoVo Homo sapiens IC50 = 100 nM 9090872
NPT91 Cell Line KB Homo sapiens IC50 = 100 nM 9090872
NPT146 Cell Line SK-OV-3 Homo sapiens IC50 = 100 nM 9090872

  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 NPC49315 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
0.9744 High Similarity NPC151030
0.9744 High Similarity NPC269383
0.9568 High Similarity NPC86678
0.9325 High Similarity NPC134413
0.9325 High Similarity NPC45112
0.9325 High Similarity NPC263507
0.9325 High Similarity NPC271958
0.8963 High Similarity NPC227778
0.8718 High Similarity NPC132771
0.8344 Intermediate Similarity NPC207675
0.8344 Intermediate Similarity NPC212699
0.7622 Intermediate Similarity NPC182475
0.7588 Intermediate Similarity NPC56635
0.7439 Intermediate Similarity NPC86087
0.7329 Intermediate Similarity NPC470392
0.7301 Intermediate Similarity NPC6570
0.7288 Intermediate Similarity NPC473502
0.7284 Intermediate Similarity NPC76453
0.7263 Intermediate Similarity NPC473371
0.7245 Intermediate Similarity NPC194699
0.7245 Intermediate Similarity NPC219350
0.7207 Intermediate Similarity NPC196091
0.716 Intermediate Similarity NPC45191
0.7151 Intermediate Similarity NPC186617
0.7118 Intermediate Similarity NPC313414
0.7117 Intermediate Similarity NPC471953
0.7111 Intermediate Similarity NPC471568
0.7111 Intermediate Similarity NPC473693
0.71 Intermediate Similarity NPC277306
0.71 Intermediate Similarity NPC469442
0.7055 Intermediate Similarity NPC326966
0.7055 Intermediate Similarity NPC30390
0.703 Intermediate Similarity NPC25539
0.7025 Intermediate Similarity NPC474862
0.7024 Intermediate Similarity NPC189724
0.7024 Intermediate Similarity NPC91953
0.7024 Intermediate Similarity NPC83289
0.7024 Intermediate Similarity NPC212850
0.7012 Intermediate Similarity NPC244866
0.7 Intermediate Similarity NPC62101
0.7 Intermediate Similarity NPC95733
0.6977 Remote Similarity NPC245974
0.6975 Remote Similarity NPC296712
0.6968 Remote Similarity NPC315542
0.6964 Remote Similarity NPC197921
0.6959 Remote Similarity NPC247298
0.6957 Remote Similarity NPC29477
0.6951 Remote Similarity NPC48909
0.6943 Remote Similarity NPC43275
0.6937 Remote Similarity NPC211218
0.6923 Remote Similarity NPC469360
0.6899 Remote Similarity NPC263835
0.6889 Remote Similarity NPC472923
0.6878 Remote Similarity NPC474498
0.6875 Remote Similarity NPC470728
0.6857 Remote Similarity NPC182119
0.6853 Remote Similarity NPC469443
0.6851 Remote Similarity NPC254700
0.6829 Remote Similarity NPC325651
0.6805 Remote Similarity NPC14600
0.6805 Remote Similarity NPC204848
0.6805 Remote Similarity NPC41473
0.6805 Remote Similarity NPC312770
0.6805 Remote Similarity NPC160607
0.6802 Remote Similarity NPC178466
0.6802 Remote Similarity NPC63628
0.6798 Remote Similarity NPC305700
0.6798 Remote Similarity NPC140915
0.6798 Remote Similarity NPC187028
0.6798 Remote Similarity NPC197741
0.6798 Remote Similarity NPC10221
0.6798 Remote Similarity NPC18249
0.6792 Remote Similarity NPC476183
0.6791 Remote Similarity NPC475421
0.6788 Remote Similarity NPC246991
0.6774 Remote Similarity NPC213529
0.6765 Remote Similarity NPC299583
0.676 Remote Similarity NPC287757
0.676 Remote Similarity NPC319320
0.675 Remote Similarity NPC476184
0.675 Remote Similarity NPC476281
0.6747 Remote Similarity NPC114102
0.6736 Remote Similarity NPC51047
0.6728 Remote Similarity NPC476260
0.6728 Remote Similarity NPC476241
0.6708 Remote Similarity NPC160493
0.6707 Remote Similarity NPC301713
0.6707 Remote Similarity NPC214869
0.6705 Remote Similarity NPC81026
0.6704 Remote Similarity NPC282294
0.6701 Remote Similarity NPC473378
0.6701 Remote Similarity NPC473407
0.6687 Remote Similarity NPC4974
0.6687 Remote Similarity NPC476179
0.6687 Remote Similarity NPC195749
0.6687 Remote Similarity NPC52029
0.6687 Remote Similarity NPC35961
0.6687 Remote Similarity NPC476125
0.6684 Remote Similarity NPC470112
0.6684 Remote Similarity NPC477115
0.6684 Remote Similarity NPC470903
0.6684 Remote Similarity NPC167763
0.6667 Remote Similarity NPC139335
0.6667 Remote Similarity NPC106688
0.6667 Remote Similarity NPC476278
0.6667 Remote Similarity NPC251571
0.665 Remote Similarity NPC220060
0.6649 Remote Similarity NPC40234
0.6648 Remote Similarity NPC324081
0.6647 Remote Similarity NPC266741
0.6632 Remote Similarity NPC232872
0.6629 Remote Similarity NPC5462
0.6629 Remote Similarity NPC478189
0.6627 Remote Similarity NPC155838
0.6627 Remote Similarity NPC478147
0.6625 Remote Similarity NPC319950
0.6618 Remote Similarity NPC469444
0.6615 Remote Similarity NPC299806
0.6608 Remote Similarity NPC471201
0.6607 Remote Similarity NPC274732
0.6606 Remote Similarity NPC8058
0.6595 Remote Similarity NPC208280
0.659 Remote Similarity NPC204546
0.6588 Remote Similarity NPC274268
0.6588 Remote Similarity NPC6913
0.6585 Remote Similarity NPC47667
0.6584 Remote Similarity NPC190663
0.6582 Remote Similarity NPC317254
0.6578 Remote Similarity NPC248670
0.6573 Remote Similarity NPC139699
0.6573 Remote Similarity NPC114659
0.6568 Remote Similarity NPC169766
0.6566 Remote Similarity NPC186898
0.6564 Remote Similarity NPC90577
0.6562 Remote Similarity NPC237420
0.6557 Remote Similarity NPC472623
0.6554 Remote Similarity NPC277857
0.6554 Remote Similarity NPC115144
0.6552 Remote Similarity NPC222039
0.6552 Remote Similarity NPC100478
0.6549 Remote Similarity NPC314743
0.6548 Remote Similarity NPC275538
0.6548 Remote Similarity NPC328763
0.6543 Remote Similarity NPC473354
0.6543 Remote Similarity NPC476227
0.6543 Remote Similarity NPC471165
0.6543 Remote Similarity NPC164608
0.6543 Remote Similarity NPC26108
0.6543 Remote Similarity NPC83279
0.6541 Remote Similarity NPC294516
0.6541 Remote Similarity NPC107938
0.6541 Remote Similarity NPC209463
0.6541 Remote Similarity NPC238430
0.6538 Remote Similarity NPC166837
0.6536 Remote Similarity NPC39431
0.6534 Remote Similarity NPC9373
0.6532 Remote Similarity NPC477837
0.6532 Remote Similarity NPC477838
0.6524 Remote Similarity NPC89831
0.6522 Remote Similarity NPC256369
0.6522 Remote Similarity NPC469445
0.6522 Remote Similarity NPC326333
0.6517 Remote Similarity NPC153644
0.6509 Remote Similarity NPC97870
0.6509 Remote Similarity NPC307123
0.6509 Remote Similarity NPC247018
0.6508 Remote Similarity NPC50016
0.6506 Remote Similarity NPC210950
0.6506 Remote Similarity NPC199738
0.6506 Remote Similarity NPC476353
0.6503 Remote Similarity NPC27581
0.6503 Remote Similarity NPC142577
0.65 Remote Similarity NPC311737
0.65 Remote Similarity NPC161768
0.65 Remote Similarity NPC38458
0.65 Remote Similarity NPC323662
0.6495 Remote Similarity NPC276120
0.6492 Remote Similarity NPC32064
0.6491 Remote Similarity NPC319774
0.6489 Remote Similarity NPC273755
0.648 Remote Similarity NPC64140
0.648 Remote Similarity NPC174122
0.6478 Remote Similarity NPC303370
0.6474 Remote Similarity NPC259800
0.6474 Remote Similarity NPC318984
0.6474 Remote Similarity NPC282087
0.6474 Remote Similarity NPC317741
0.6474 Remote Similarity NPC241086
0.6474 Remote Similarity NPC328137
0.6474 Remote Similarity NPC318028
0.6471 Remote Similarity NPC3921
0.6467 Remote Similarity NPC153990
0.6463 Remote Similarity NPC471314
0.6463 Remote Similarity NPC471315
0.646 Remote Similarity NPC204617
0.6459 Remote Similarity NPC326027
0.6455 Remote Similarity NPC158277
0.6455 Remote Similarity NPC279871
0.6448 Remote Similarity NPC476194
0.6447 Remote Similarity NPC477526

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC49315 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
0.9325 High Similarity NPD7959 Clinical (unspecified phase)
0.9268 High Similarity NPD8014 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD4018 Clinical (unspecified phase)
0.7811 Intermediate Similarity NPD3465 Clinical (unspecified phase)
0.7772 Intermediate Similarity NPD6312 Discontinued
0.7485 Intermediate Similarity NPD3274 Phase 2
0.7318 Intermediate Similarity NPD5822 Clinical (unspecified phase)
0.7293 Intermediate Similarity NPD5096 Phase 3
0.7293 Intermediate Similarity NPD5095 Phase 3
0.7289 Intermediate Similarity NPD7596 Clinical (unspecified phase)
0.7257 Intermediate Similarity NPD2379 Clinical (unspecified phase)
0.7228 Intermediate Similarity NPD3936 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD2370 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD7460 Discontinued
0.7198 Intermediate Similarity NPD3933 Discontinued
0.7143 Intermediate Similarity NPD7029 Discontinued
0.7105 Intermediate Similarity NPD3819 Phase 2
0.7102 Intermediate Similarity NPD7972 Discontinued
0.7093 Intermediate Similarity NPD6390 Discontinued
0.7083 Intermediate Similarity NPD4534 Discontinued
0.7083 Intermediate Similarity NPD5958 Discontinued
0.7081 Intermediate Similarity NPD454 Approved
0.7074 Intermediate Similarity NPD3857 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD3536 Discontinued
0.7017 Intermediate Similarity NPD7608 Discontinued
0.7012 Intermediate Similarity NPD5729 Clinical (unspecified phase)
0.6994 Remote Similarity NPD4186 Clinical (unspecified phase)
0.6961 Remote Similarity NPD5649 Clinical (unspecified phase)
0.6954 Remote Similarity NPD7131 Phase 3
0.6951 Remote Similarity NPD1048 Approved
0.6937 Remote Similarity NPD3676 Clinical (unspecified phase)
0.6936 Remote Similarity NPD5348 Clinical (unspecified phase)
0.689 Remote Similarity NPD3136 Phase 2
0.6836 Remote Similarity NPD1714 Approved
0.6836 Remote Similarity NPD1715 Phase 1
0.6826 Remote Similarity NPD1184 Approved
0.679 Remote Similarity NPD3098 Discontinued
0.6763 Remote Similarity NPD3887 Approved
0.6744 Remote Similarity NPD2976 Clinical (unspecified phase)
0.6742 Remote Similarity NPD6502 Phase 2
0.6742 Remote Similarity NPD4972 Discontinued
0.6726 Remote Similarity NPD6355 Discontinued
0.6725 Remote Similarity NPD7978 Discontinued
0.6723 Remote Similarity NPD4003 Phase 3
0.672 Remote Similarity NPD3366 Approved
0.6704 Remote Similarity NPD958 Approved
0.6685 Remote Similarity NPD6057 Approved
0.6685 Remote Similarity NPD6056 Approved
0.6667 Remote Similarity NPD7945 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2240 Approved
0.6667 Remote Similarity NPD2239 Approved
0.6667 Remote Similarity NPD5108 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1501 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2354 Approved
0.6647 Remote Similarity NPD6798 Discontinued
0.663 Remote Similarity NPD5563 Clinical (unspecified phase)
0.663 Remote Similarity NPD3365 Discontinued
0.6629 Remote Similarity NPD957 Approved
0.6617 Remote Similarity NPD4971 Clinical (unspecified phase)
0.6614 Remote Similarity NPD5557 Phase 1
0.6612 Remote Similarity NPD8031 Discontinued
0.6612 Remote Similarity NPD4064 Discontinued
0.6612 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6611 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6611 Remote Similarity NPD4424 Discontinued
0.661 Remote Similarity NPD52 Approved
0.661 Remote Similarity NPD7526 Approved
0.661 Remote Similarity NPD7527 Clinical (unspecified phase)
0.6608 Remote Similarity NPD6866 Clinical (unspecified phase)
0.6608 Remote Similarity NPD6867 Clinical (unspecified phase)
0.6607 Remote Similarity NPD7477 Discontinued
0.6607 Remote Similarity NPD6233 Phase 2
0.6607 Remote Similarity NPD4062 Phase 3
0.6607 Remote Similarity NPD5745 Approved
0.6596 Remote Similarity NPD3909 Discontinued
0.6595 Remote Similarity NPD5623 Approved
0.659 Remote Similarity NPD2808 Discontinued
0.6587 Remote Similarity NPD5163 Phase 2
0.6576 Remote Similarity NPD5709 Phase 3
0.657 Remote Similarity NPD6032 Approved
0.6559 Remote Similarity NPD7315 Approved
0.6554 Remote Similarity NPD4739 Approved
0.6543 Remote Similarity NPD3847 Discontinued
0.6541 Remote Similarity NPD4666 Phase 3
0.6541 Remote Similarity NPD7129 Suspended
0.6541 Remote Similarity NPD6746 Phase 2
0.6538 Remote Similarity NPD5772 Approved
0.6538 Remote Similarity NPD5773 Approved
0.6534 Remote Similarity NPD6666 Approved
0.6534 Remote Similarity NPD6667 Approved
0.6532 Remote Similarity NPD2353 Approved
0.6532 Remote Similarity NPD2355 Clinical (unspecified phase)
0.6527 Remote Similarity NPD2614 Approved
0.6522 Remote Similarity NPD8070 Approved
0.6519 Remote Similarity NPD6677 Suspended
0.6514 Remote Similarity NPD6658 Clinical (unspecified phase)
0.6514 Remote Similarity NPD6331 Phase 2
0.6509 Remote Similarity NPD1423 Approved
0.6505 Remote Similarity NPD7484 Phase 3
0.6505 Remote Similarity NPD7485 Phase 3
0.6492 Remote Similarity NPD3823 Discontinued
0.6488 Remote Similarity NPD5746 Approved
0.6485 Remote Similarity NPD196 Phase 1
0.6484 Remote Similarity NPD5356 Approved
0.6484 Remote Similarity NPD4433 Discontinued
0.6484 Remote Similarity NPD5355 Approved
0.6477 Remote Similarity NPD3973 Approved
0.6474 Remote Similarity NPD1519 Approved
0.6474 Remote Similarity NPD1538 Phase 1
0.6474 Remote Similarity NPD1537 Approved
0.6471 Remote Similarity NPD5837 Clinical (unspecified phase)
0.6464 Remote Similarity NPD3579 Clinical (unspecified phase)
0.6461 Remote Similarity NPD7446 Clinical (unspecified phase)
0.6461 Remote Similarity NPD4123 Phase 3
0.6457 Remote Similarity NPD1416 Approved
0.6453 Remote Similarity NPD1536 Approved
0.645 Remote Similarity NPD3374 Clinical (unspecified phase)
0.6446 Remote Similarity NPD987 Approved
0.6441 Remote Similarity NPD6815 Approved
0.6439 Remote Similarity NPD6905 Phase 2
0.6437 Remote Similarity NPD3656 Approved
0.6429 Remote Similarity NPD6072 Discontinued
0.6429 Remote Similarity NPD2541 Clinical (unspecified phase)
0.6424 Remote Similarity NPD3685 Discontinued
0.6417 Remote Similarity NPD2821 Approved
0.6413 Remote Similarity NPD4874 Phase 2
0.6409 Remote Similarity NPD3455 Phase 2
0.6402 Remote Similarity NPD6981 Phase 2
0.64 Remote Similarity NPD2030 Discontinued
0.64 Remote Similarity NPD2897 Discontinued
0.64 Remote Similarity NPD7153 Discontinued
0.6395 Remote Similarity NPD1654 Clinical (unspecified phase)
0.6395 Remote Similarity NPD3054 Approved
0.6395 Remote Similarity NPD3052 Approved
0.6393 Remote Similarity NPD8019 Approved
0.6393 Remote Similarity NPD7495 Discontinued
0.6391 Remote Similarity NPD1024 Discontinued
0.6391 Remote Similarity NPD7095 Approved
0.6391 Remote Similarity NPD2598 Clinical (unspecified phase)
0.6386 Remote Similarity NPD7565 Approved
0.638 Remote Similarity NPD2668 Approved
0.638 Remote Similarity NPD2667 Approved
0.6379 Remote Similarity NPD1523 Approved
0.6379 Remote Similarity NPD1522 Approved
0.6379 Remote Similarity NPD7450 Phase 2
0.6379 Remote Similarity NPD1725 Approved
0.6379 Remote Similarity NPD2161 Phase 2
0.6374 Remote Similarity NPD4060 Phase 1
0.6369 Remote Similarity NPD4993 Discontinued
0.6369 Remote Similarity NPD3985 Discontinued
0.6368 Remote Similarity NPD5605 Phase 2
0.6364 Remote Similarity NPD4487 Clinical (unspecified phase)
0.6364 Remote Similarity NPD2459 Approved
0.6364 Remote Similarity NPD2460 Phase 3
0.6364 Remote Similarity NPD2458 Approved
0.6358 Remote Similarity NPD1521 Approved
0.6358 Remote Similarity NPD1520 Approved
0.6355 Remote Similarity NPD5542 Phase 2
0.6353 Remote Similarity NPD3056 Clinical (unspecified phase)
0.6343 Remote Similarity NPD7548 Discontinued
0.6343 Remote Similarity NPD5865 Clinical (unspecified phase)
0.634 Remote Similarity NPD2166 Phase 3
0.6339 Remote Similarity NPD6386 Approved
0.6339 Remote Similarity NPD6385 Approved
0.6333 Remote Similarity NPD7613 Discontinued
0.6333 Remote Similarity NPD4731 Phase 3
0.6331 Remote Similarity NPD4698 Clinical (unspecified phase)
0.6328 Remote Similarity NPD3400 Discontinued
0.6326 Remote Similarity NPD7805 Phase 3
0.6325 Remote Similarity NPD1669 Approved
0.6324 Remote Similarity NPD7318 Phase 3
0.6321 Remote Similarity NPD6211 Clinical (unspecified phase)
0.6316 Remote Similarity NPD2674 Phase 3
0.6313 Remote Similarity NPD6682 Clinical (unspecified phase)
0.631 Remote Similarity NPD7451 Discontinued
0.631 Remote Similarity NPD6315 Phase 2
0.6305 Remote Similarity NPD7811 Phase 3
0.6305 Remote Similarity NPD7810 Phase 3
0.6302 Remote Similarity NPD3965 Phase 1
0.63 Remote Similarity NPD5984 Phase 2
0.6298 Remote Similarity NPD7523 Phase 3
0.6294 Remote Similarity NPD2372 Approved
0.6289 Remote Similarity NPD3303 Discontinued
0.6286 Remote Similarity NPD4476 Approved
0.6286 Remote Similarity NPD4477 Approved
0.6286 Remote Similarity NPD3175 Clinical (unspecified phase)
0.6284 Remote Similarity NPD4678 Approved
0.6284 Remote Similarity NPD4675 Approved
0.6279 Remote Similarity NPD6346 Approved
0.6276 Remote Similarity NPD6556 Clinical (unspecified phase)
0.6271 Remote Similarity NPD4237 Approved
0.6271 Remote Similarity NPD4236 Phase 3
0.627 Remote Similarity NPD7089 Clinical (unspecified phase)
0.6264 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6264 Remote Similarity NPD4537 Clinical (unspecified phase)
0.6264 Remote Similarity NPD3687 Approved
0.6264 Remote Similarity NPD4538 Approved
0.6264 Remote Similarity NPD5688 Approved
0.6264 Remote Similarity NPD4536 Approved
0.6264 Remote Similarity NPD3686 Approved

Structure

External Identifiers

PubChem CID   10604522
ChEMBL   CHEMBL506269
ZINC  

Physicochemical Properties

Molecular Weight:  672.24
ALogP:  2.9178
MLogP:  4.1
XLogP:  9.013
# Rotatable Bonds:  17
Polar Surface Area:  127.01
# H-Bond Aceptor:  8
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  46

Download Data

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