Natural Product: NPC477462

Natural Product ID:  NPC477462
Common Name:   Pahayokolides A
IUPAC Name:  
Synonyms:  
Molecular Formula:   C72H105N13O20
Standard InCHIKey:  KAWIJJOWYRPPRV-NQSNVQNHSA-N
Standard InCHI:  InChI=1S/C72H105N13O20/c1-10-46-63(95)81-52(38-86)66(98)76-47(11-2)64(96)82-60(41(7)87)69(101)78-49(27-26-43-20-14-12-15-21-43)71(103)85-31-19-25-54(85)68(100)79-50(35-45(36-57(90)56(89)33-40(5)6)105-72(104)55(32-39(3)4)83(9)42(8)88)61(93)70(102)77-48(28-29-58(73)91)62(94)74-37-59(92)84-30-18-24-53(84)67(99)80-51(65(97)75-46)34-44-22-16-13-17-23-44/h10-17,20-23,39-41,45,48-57,60-61,86-87,89-90,93H,18-19,24-38H2,1-9H3,(H2,73,91)(H,74,94)(H,75,97)(H,76,98)(H,77,102)(H,78,101)(H,79,100)(H,80,99)(H,81,95)(H,82,96)/b46-10-,47-11+/t41?,45-,48+,49+,50?,51+,52+,53+,54+,55+,56?,57?,60?,61?/m1/s1
Canonical SMILES:  OC[C@@H]1N=C(O)/C(=C/C)/N=C(O)[C@H](Cc2ccccc2)N=C(O)[C@@H]2CCCN2C(=O)CN=C(O)[C@H](CCC(=N)O)N=C(C(C(N=C([C@H]2N(C(=O)[C@@H](N=C(C(N=C(/C(=CC)/N=C1O)O)C(O)C)O)CCc1ccccc1)CCC2)O)C[C@@H](OC(=O)[C@@H](N(C(=O)C)C)CC(C)C)CC(C(CC(C)C)O)O)O)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
NPO32881 lyngbya sp. Species Oscillatoriaceae Bacteria Florida Everglades PMID[17432902]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT397 Cell Line NCI-H460 Homo sapiens IC50 = 2130 nM 17432902
NPT376 Cell Line A498 Homo sapiens IC50 = 2610 nM 17432902
NPT146 Cell Line SK-OV-3 Homo sapiens IC50 = 2760 nM 17432902
NPT404 Cell Line CCRF-CEM Homo sapiens IC50 = 3270 nM 17432902
NPT170 Cell Line SK-MEL-28 Homo sapiens IC50 = 5740 nM 17432902
NPT380 Cell Line U-251 Homo sapiens IC50 = 13330 nM 17432902
NPT27 Others Unspecified IC50 = 16700 nM 17432902
NPT139 Cell Line HT-29 Homo sapiens IC50 = 44570 nM 17432902

  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 NPC477462 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
0.8854 High Similarity NPC122590
0.8662 High Similarity NPC2501
0.8634 High Similarity NPC297145
0.8634 High Similarity NPC197743
0.8562 High Similarity NPC470902
0.8491 Intermediate Similarity NPC7817
0.8491 Intermediate Similarity NPC475168
0.8462 Intermediate Similarity NPC476978
0.8354 Intermediate Similarity NPC262077
0.8353 Intermediate Similarity NPC471165
0.8344 Intermediate Similarity NPC52748
0.8313 Intermediate Similarity NPC471051
0.8313 Intermediate Similarity NPC471052
0.8313 Intermediate Similarity NPC471053
0.8239 Intermediate Similarity NPC314358
0.8176 Intermediate Similarity NPC316008
0.8176 Intermediate Similarity NPC313867
0.814 Intermediate Similarity NPC26108
0.8137 Intermediate Similarity NPC471820
0.8137 Intermediate Similarity NPC471821
0.8113 Intermediate Similarity NPC315283
0.8113 Intermediate Similarity NPC314388
0.8063 Intermediate Similarity NPC209509
0.8063 Intermediate Similarity NPC315266
0.805 Intermediate Similarity NPC161069
0.8 Intermediate Similarity NPC194671
0.8 Intermediate Similarity NPC269750
0.7976 Intermediate Similarity NPC469901
0.795 Intermediate Similarity NPC5620
0.7939 Intermediate Similarity NPC473341
0.7886 Intermediate Similarity NPC50016
0.7879 Intermediate Similarity NPC162104
0.7874 Intermediate Similarity NPC248670
0.787 Intermediate Similarity NPC471527
0.7853 Intermediate Similarity NPC138775
0.7853 Intermediate Similarity NPC135121
0.7844 Intermediate Similarity NPC469903
0.7829 Intermediate Similarity NPC279871
0.7821 Intermediate Similarity NPC294951
0.7821 Intermediate Similarity NPC471050
0.7821 Intermediate Similarity NPC471049
0.7821 Intermediate Similarity NPC471048
0.7816 Intermediate Similarity NPC89831
0.7816 Intermediate Similarity NPC328494
0.7812 Intermediate Similarity NPC239762
0.7812 Intermediate Similarity NPC163392
0.7805 Intermediate Similarity NPC240848
0.7803 Intermediate Similarity NPC473000
0.7799 Intermediate Similarity NPC127741
0.7784 Intermediate Similarity NPC469900
0.7771 Intermediate Similarity NPC137627
0.7771 Intermediate Similarity NPC306804
0.7771 Intermediate Similarity NPC273755
0.7764 Intermediate Similarity NPC263493
0.7764 Intermediate Similarity NPC269398
0.7759 Intermediate Similarity NPC475123
0.7759 Intermediate Similarity NPC475204
0.7758 Intermediate Similarity NPC129666
0.775 Intermediate Similarity NPC178662
0.775 Intermediate Similarity NPC470884
0.775 Intermediate Similarity NPC98424
0.775 Intermediate Similarity NPC476133
0.775 Intermediate Similarity NPC92784
0.773 Intermediate Similarity NPC477217
0.773 Intermediate Similarity NPC201244
0.7722 Intermediate Similarity NPC287401
0.7707 Intermediate Similarity NPC130309
0.7706 Intermediate Similarity NPC1390
0.7706 Intermediate Similarity NPC62104
0.7705 Intermediate Similarity NPC163961
0.7705 Intermediate Similarity NPC473305
0.7697 Intermediate Similarity NPC45037
0.7688 Intermediate Similarity NPC471264
0.7688 Intermediate Similarity NPC471265
0.7661 Intermediate Similarity NPC469902
0.763 Intermediate Similarity NPC63931
0.7627 Intermediate Similarity NPC476227
0.7607 Intermediate Similarity NPC197682
0.7607 Intermediate Similarity NPC176226
0.7607 Intermediate Similarity NPC77905
0.7606 Intermediate Similarity NPC323662
0.7606 Intermediate Similarity NPC477552
0.7606 Intermediate Similarity NPC477550
0.7602 Intermediate Similarity NPC469898
0.7593 Intermediate Similarity NPC307357
0.7593 Intermediate Similarity NPC268841
0.7593 Intermediate Similarity NPC476259
0.7593 Intermediate Similarity NPC46098
0.7578 Intermediate Similarity NPC68865
0.7562 Intermediate Similarity NPC141050
0.7546 Intermediate Similarity NPC168113
0.7543 Intermediate Similarity NPC63040
0.753 Intermediate Similarity NPC329761
0.753 Intermediate Similarity NPC225648
0.7529 Intermediate Similarity NPC210377
0.7529 Intermediate Similarity NPC5719
0.7529 Intermediate Similarity NPC22883
0.7529 Intermediate Similarity NPC217804
0.7528 Intermediate Similarity NPC158277
0.7526 Intermediate Similarity NPC477551
0.7514 Intermediate Similarity NPC241794
0.75 Intermediate Similarity NPC139326
0.7487 Intermediate Similarity NPC328763
0.7486 Intermediate Similarity NPC61004
0.7486 Intermediate Similarity NPC15068
0.7484 Intermediate Similarity NPC255447
0.7458 Intermediate Similarity NPC40234
0.7458 Intermediate Similarity NPC46009
0.7444 Intermediate Similarity NPC473001
0.7443 Intermediate Similarity NPC294516
0.7443 Intermediate Similarity NPC107938
0.7442 Intermediate Similarity NPC324850
0.743 Intermediate Similarity NPC155506
0.743 Intermediate Similarity NPC159767
0.743 Intermediate Similarity NPC473402
0.743 Intermediate Similarity NPC473354
0.7425 Intermediate Similarity NPC145113
0.7421 Intermediate Similarity NPC200589
0.7416 Intermediate Similarity NPC230611
0.7412 Intermediate Similarity NPC202198
0.7405 Intermediate Similarity NPC319766
0.7405 Intermediate Similarity NPC94862
0.7401 Intermediate Similarity NPC469904
0.7381 Intermediate Similarity NPC105717
0.7372 Intermediate Similarity NPC46427
0.7372 Intermediate Similarity NPC6975
0.7368 Intermediate Similarity NPC473002
0.7363 Intermediate Similarity NPC472999
0.7356 Intermediate Similarity NPC114806
0.7356 Intermediate Similarity NPC473003
0.7354 Intermediate Similarity NPC477638
0.7354 Intermediate Similarity NPC477632
0.7345 Intermediate Similarity NPC302597
0.7333 Intermediate Similarity NPC318930
0.7333 Intermediate Similarity NPC317362
0.7329 Intermediate Similarity NPC246079
0.7326 Intermediate Similarity NPC61332
0.7326 Intermediate Similarity NPC476268
0.7326 Intermediate Similarity NPC240130
0.7322 Intermediate Similarity NPC476321
0.731 Intermediate Similarity NPC262166
0.731 Intermediate Similarity NPC56685
0.7308 Intermediate Similarity NPC252878
0.7302 Intermediate Similarity NPC302715
0.7299 Intermediate Similarity NPC24617
0.7299 Intermediate Similarity NPC244336
0.7283 Intermediate Similarity NPC471526
0.725 Intermediate Similarity NPC111428
0.725 Intermediate Similarity NPC473322
0.7247 Intermediate Similarity NPC328649
0.7244 Intermediate Similarity NPC202521
0.7238 Intermediate Similarity NPC136797
0.7232 Intermediate Similarity NPC472923
0.7216 Intermediate Similarity NPC73655
0.7212 Intermediate Similarity NPC132636
0.7211 Intermediate Similarity NPC65714
0.7209 Intermediate Similarity NPC286551
0.7189 Intermediate Similarity NPC167763
0.7189 Intermediate Similarity NPC470112
0.7189 Intermediate Similarity NPC470903
0.7181 Intermediate Similarity NPC102959
0.7179 Intermediate Similarity NPC476990
0.7179 Intermediate Similarity NPC200964
0.7164 Intermediate Similarity NPC326027
0.7152 Intermediate Similarity NPC175726
0.7152 Intermediate Similarity NPC474082
0.7151 Intermediate Similarity NPC300443
0.715 Intermediate Similarity NPC326333
0.7143 Intermediate Similarity NPC317725
0.7143 Intermediate Similarity NPC60516
0.7143 Intermediate Similarity NPC326407
0.7135 Intermediate Similarity NPC473404
0.7135 Intermediate Similarity NPC473371
0.7135 Intermediate Similarity NPC477637
0.7135 Intermediate Similarity NPC283783
0.7134 Intermediate Similarity NPC248283
0.7126 Intermediate Similarity NPC469427
0.7126 Intermediate Similarity NPC469426
0.7126 Intermediate Similarity NPC244509
0.712 Intermediate Similarity NPC119652
0.712 Intermediate Similarity NPC97526
0.7118 Intermediate Similarity NPC16188
0.7111 Intermediate Similarity NPC280022
0.7101 Intermediate Similarity NPC322878
0.7098 Intermediate Similarity NPC471592
0.7095 Intermediate Similarity NPC254700
0.7093 Intermediate Similarity NPC473491
0.7085 Intermediate Similarity NPC478005
0.7083 Intermediate Similarity NPC184933
0.7083 Intermediate Similarity NPC59827
0.707 Intermediate Similarity NPC190663
0.7068 Intermediate Similarity NPC477631
0.7063 Intermediate Similarity NPC47667
0.7063 Intermediate Similarity NPC101719
0.7056 Intermediate Similarity NPC141957
0.7053 Intermediate Similarity NPC477636
0.7051 Intermediate Similarity NPC310467
0.7051 Intermediate Similarity NPC470546
0.7047 Intermediate Similarity NPC477639
0.7044 Intermediate Similarity NPC35996

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477462 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
0.7799 Intermediate Similarity NPD8172 Phase 2
0.7799 Intermediate Similarity NPD8173 Phase 2
0.7544 Intermediate Similarity NPD7118 Clinical (unspecified phase)
0.753 Intermediate Similarity NPD8323 Discontinued
0.7407 Intermediate Similarity NPD8643 Discontinued
0.7362 Intermediate Similarity NPD6073 Approved
0.7353 Intermediate Similarity NPD7613 Discontinued
0.7346 Intermediate Similarity NPD8416 Discontinued
0.7317 Intermediate Similarity NPD6852 Discontinued
0.7261 Intermediate Similarity NPD2584 Suspended
0.7256 Intermediate Similarity NPD5725 Approved
0.7219 Intermediate Similarity NPD8103 Clinical (unspecified phase)
0.7202 Intermediate Similarity NPD6860 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD5339 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD8417 Discontinued
0.7143 Intermediate Similarity NPD4175 Approved
0.7143 Intermediate Similarity NPD4177 Approved
0.7091 Intermediate Similarity NPD7113 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD7634 Clinical (unspecified phase)
0.7066 Intermediate Similarity NPD7728 Clinical (unspecified phase)
0.6994 Remote Similarity NPD5263 Approved
0.6982 Remote Similarity NPD8076 Discontinued
0.697 Remote Similarity NPD5747 Discontinued
0.6936 Remote Similarity NPD6088 Approved
0.6928 Remote Similarity NPD6623 Phase 3
0.6927 Remote Similarity NPD7600 Phase 2
0.6909 Remote Similarity NPD1329 Clinical (unspecified phase)
0.6909 Remote Similarity NPD1330 Phase 2
0.6905 Remote Similarity NPD6901 Phase 3
0.689 Remote Similarity NPD4676 Approved
0.689 Remote Similarity NPD2613 Approved
0.6872 Remote Similarity NPD7599 Phase 2
0.6867 Remote Similarity NPD2573 Approved
0.6867 Remote Similarity NPD3615 Approved
0.6867 Remote Similarity NPD3090 Approved
0.6867 Remote Similarity NPD2574 Discontinued
0.6867 Remote Similarity NPD2571 Approved
0.6867 Remote Similarity NPD3616 Approved
0.6867 Remote Similarity NPD4745 Approved
0.6867 Remote Similarity NPD3089 Approved
0.6867 Remote Similarity NPD4746 Phase 3
0.6867 Remote Similarity NPD2570 Approved
0.6867 Remote Similarity NPD3087 Approved
0.6867 Remote Similarity NPD3614 Approved
0.6867 Remote Similarity NPD2566 Approved
0.6867 Remote Similarity NPD3088 Approved
0.6867 Remote Similarity NPD2572 Clinical (unspecified phase)
0.686 Remote Similarity NPD2575 Approved
0.686 Remote Similarity NPD6676 Phase 2
0.6848 Remote Similarity NPD6919 Clinical (unspecified phase)
0.6839 Remote Similarity NPD7892 Clinical (unspecified phase)
0.6832 Remote Similarity NPD3071 Approved
0.6832 Remote Similarity NPD3072 Approved
0.6832 Remote Similarity NPD3073 Approved
0.6828 Remote Similarity NPD8022 Clinical (unspecified phase)
0.6826 Remote Similarity NPD4153 Approved
0.6811 Remote Similarity NPD8126 Clinical (unspecified phase)
0.6811 Remote Similarity NPD8124 Phase 3
0.6811 Remote Similarity NPD7965 Phase 2
0.6811 Remote Similarity NPD7964 Clinical (unspecified phase)
0.681 Remote Similarity NPD2585 Clinical (unspecified phase)
0.6807 Remote Similarity NPD4619 Approved
0.6807 Remote Similarity NPD4621 Approved
0.6802 Remote Similarity NPD5265 Approved
0.6802 Remote Similarity NPD5264 Approved
0.6788 Remote Similarity NPD7979 Clinical (unspecified phase)
0.6788 Remote Similarity NPD4125 Approved
0.6786 Remote Similarity NPD4684 Phase 3
0.6786 Remote Similarity NPD4686 Approved
0.6786 Remote Similarity NPD4685 Phase 3
0.6778 Remote Similarity NPD4557 Approved
0.677 Remote Similarity NPD4762 Approved
0.677 Remote Similarity NPD4761 Approved
0.676 Remote Similarity NPD7749 Clinical (unspecified phase)
0.6757 Remote Similarity NPD5137 Approved
0.6747 Remote Similarity NPD4738 Phase 2
0.6746 Remote Similarity NPD4782 Clinical (unspecified phase)
0.673 Remote Similarity NPD2218 Phase 2
0.673 Remote Similarity NPD2217 Approved
0.6721 Remote Similarity NPD8303 Discontinued
0.6706 Remote Similarity NPD6294 Approved
0.6706 Remote Similarity NPD6295 Approved
0.6704 Remote Similarity NPD7267 Clinical (unspecified phase)
0.6687 Remote Similarity NPD4504 Clinical (unspecified phase)
0.6686 Remote Similarity NPD8290 Clinical (unspecified phase)
0.6685 Remote Similarity NPD6670 Clinical (unspecified phase)
0.6685 Remote Similarity NPD8315 Phase 1
0.6684 Remote Similarity NPD7683 Discontinued
0.6683 Remote Similarity NPD5665 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6557 Phase 2
0.6667 Remote Similarity NPD6058 Phase 2
0.6667 Remote Similarity NPD7105 Phase 1
0.6667 Remote Similarity NPD4706 Clinical (unspecified phase)
0.6648 Remote Similarity NPD6631 Clinical (unspecified phase)
0.6647 Remote Similarity NPD6681 Discovery
0.6629 Remote Similarity NPD7274 Clinical (unspecified phase)
0.6628 Remote Similarity NPD7512 Approved
0.6628 Remote Similarity NPD7511 Approved
0.6628 Remote Similarity NPD6897 Clinical (unspecified phase)
0.6627 Remote Similarity NPD4791 Clinical (unspecified phase)
0.6627 Remote Similarity NPD5204 Approved
0.6627 Remote Similarity NPD6309 Approved
0.6627 Remote Similarity NPD3626 Phase 3
0.6627 Remote Similarity NPD5296 Approved
0.6627 Remote Similarity NPD6310 Approved
0.6627 Remote Similarity NPD8265 Approved
0.6627 Remote Similarity NPD6311 Approved
0.6613 Remote Similarity NPD7608 Discontinued
0.66 Remote Similarity NPD7565 Approved
0.659 Remote Similarity NPD7720 Phase 2
0.6585 Remote Similarity NPD4677 Discontinued
0.6584 Remote Similarity NPD6863 Phase 2
0.6575 Remote Similarity NPD1663 Discontinued
0.6573 Remote Similarity NPD6078 Clinical (unspecified phase)
0.6571 Remote Similarity NPD1968 Approved
0.6571 Remote Similarity NPD1967 Approved
0.657 Remote Similarity NPD5301 Clinical (unspecified phase)
0.6566 Remote Similarity NPD8339 Clinical (unspecified phase)
0.6566 Remote Similarity NPD3608 Clinical (unspecified phase)
0.6559 Remote Similarity NPD7484 Phase 3
0.6559 Remote Similarity NPD7485 Phase 3
0.6557 Remote Similarity NPD7080 Clinical (unspecified phase)
0.6552 Remote Similarity NPD5341 Clinical (unspecified phase)
0.6545 Remote Similarity NPD6792 Phase 3
0.6545 Remote Similarity NPD3125 Approved
0.6538 Remote Similarity NPD7011 Discontinued
0.6536 Remote Similarity NPD7131 Phase 3
0.6527 Remote Similarity NPD3663 Approved
0.6527 Remote Similarity NPD3661 Approved
0.6527 Remote Similarity NPD3664 Approved
0.6527 Remote Similarity NPD5759 Approved
0.6527 Remote Similarity NPD3040 Approved
0.6527 Remote Similarity NPD3662 Phase 3
0.6526 Remote Similarity NPD5681 Clinical (unspecified phase)
0.6522 Remote Similarity NPD8351 Phase 2
0.6517 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6517 Remote Similarity NPD5941 Approved
0.6517 Remote Similarity NPD5942 Approved
0.6512 Remote Similarity NPD4126 Approved
0.6506 Remote Similarity NPD2625 Approved
0.6506 Remote Similarity NPD2626 Approved
0.6506 Remote Similarity NPD2160 Approved
0.6506 Remote Similarity NPD2627 Approved
0.6506 Remote Similarity NPD2159 Approved
0.6506 Remote Similarity NPD2628 Approved
0.65 Remote Similarity NPD7490 Discontinued
0.6494 Remote Similarity NPD7978 Discontinued
0.6494 Remote Similarity NPD4152 Approved
0.6481 Remote Similarity NPD5981 Approved
0.648 Remote Similarity NPD5852 Approved
0.648 Remote Similarity NPD5851 Approved
0.6468 Remote Similarity NPD8374 Phase 3
0.6467 Remote Similarity NPD3604 Clinical (unspecified phase)
0.6464 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6463 Remote Similarity NPD2610 Approved
0.6463 Remote Similarity NPD4218 Approved
0.6463 Remote Similarity NPD3131 Approved
0.6463 Remote Similarity NPD4215 Approved
0.6463 Remote Similarity NPD3132 Approved
0.6463 Remote Similarity NPD2609 Approved
0.6463 Remote Similarity NPD2612 Approved
0.6463 Remote Similarity NPD4217 Approved
0.6463 Remote Similarity NPD2611 Approved
0.6463 Remote Similarity NPD4216 Approved
0.6463 Remote Similarity NPD2608 Approved
0.6453 Remote Similarity NPD7510 Approved
0.645 Remote Similarity NPD4794 Discontinued
0.645 Remote Similarity NPD6347 Phase 2
0.6448 Remote Similarity NPD8019 Approved
0.6438 Remote Similarity NPD1348 Approved
0.6436 Remote Similarity NPD7811 Phase 3
0.6436 Remote Similarity NPD7810 Phase 3
0.6433 Remote Similarity NPD5323 Approved
0.6429 Remote Similarity NPD2891 Approved
0.6425 Remote Similarity NPD8329 Phase 3
0.6414 Remote Similarity NPD5076 Approved
0.6414 Remote Similarity NPD5077 Approved
0.6412 Remote Similarity NPD5581 Approved
0.6412 Remote Similarity NPD3632 Clinical (unspecified phase)
0.6409 Remote Similarity NPD4647 Approved
0.6409 Remote Similarity NPD4648 Approved
0.6409 Remote Similarity NPD4646 Approved
0.6398 Remote Similarity NPD5218 Approved
0.6398 Remote Similarity NPD5219 Approved
0.6395 Remote Similarity NPD3908 Approved
0.6391 Remote Similarity NPD5201 Approved
0.6391 Remote Similarity NPD6359 Clinical (unspecified phase)
0.6391 Remote Similarity NPD4617 Approved
0.6391 Remote Similarity NPD5202 Clinical (unspecified phase)
0.6391 Remote Similarity NPD5203 Approved
0.6391 Remote Similarity NPD4620 Approved
0.6379 Remote Similarity NPD6864 Phase 2
0.6379 Remote Similarity NPD6865 Phase 2
0.6369 Remote Similarity NPD3588 Discontinued
0.6364 Remote Similarity NPD2436 Approved
0.6364 Remote Similarity NPD6119 Clinical (unspecified phase)
0.6364 Remote Similarity NPD2437 Approved
0.6359 Remote Similarity NPD7495 Discontinued
0.6359 Remote Similarity NPD7281 Phase 3
0.6359 Remote Similarity NPD7280 Phase 3

Structure

External Identifiers

PubChem CID   44423112
ChEMBL   CHEMBL266434
ZINC  

Physicochemical Properties

Molecular Weight:  1471.76
ALogP:  -6.4609
MLogP:  5.75
XLogP:  7.575
# Rotatable Bonds:  48
Polar Surface Area:  525.77
# H-Bond Aceptor:  33
# H-Bond Donor:  16
# Rings:  5
# Heavy Atoms:  105

Download Data

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