Natural Product: NPC224076

Natural Product ID:  NPC224076
Common Name:   Tocladesine
IUPAC Name:   (4aR,6R,7R,7aS)-6-(6-amino-8-chloropurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
Synonyms:   8-CL-CAMP; Adenazole; ICN-1256; Tocladesine
Molecular Formula:   C10H11ClN5O6P
Standard InCHIKey:  CLLFEJLEDNXZNR-UUOKFMHZSA-N
Standard InCHI:  InChI=1S/C10H11ClN5O6P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,17H,1H2,(H,18,19)(H2,12,13,14)/t3-,5-,6-,9-/m1/s1
Canonical SMILES:  O[C@@H]1[C@@H]2OP(=O)(O)OC[C@H]2O[C@H]1n1c(Cl)nc2c1ncnc2N
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
NPO5986 Ziziphus jujuba Species Rhamnaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2560 Protein Family Phosphodiesterase 4 Homo sapiens IC50 = 59000 nM 6245211
NPT2560 Protein Family Phosphodiesterase 4 Homo sapiens IC50 = 22000 nM 6245211
NPT367 Cell Line MDA-N Homo sapiens GI50 10864.26 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 12647.36 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 16519.62 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 16405.9 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 5046.61 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 3605.79 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 12189.9 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 48977.88 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 12502.59 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 152054.75 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 152405.28 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 2824.88 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 67608.3 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 44874.54 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 19498.45 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 6998.42 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 67764.15 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 6668.07 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 5420.01 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 27669.42 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 122461.62 nM PubChem BioAssay data set
NPT572 Cell Line DMS-273 Homo sapiens GI50 3147.75 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 4698.94 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 21527.82 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 12078.14 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 15135.61 nM PubChem BioAssay data set
NPT573 Cell Line M19-MEL Homo sapiens GI50 299916.25 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 27101.92 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 8016.78 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 75509.22 nM PubChem BioAssay data set
NPT574 Cell Line XF498 Homo sapiens GI50 18071.74 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 6471.43 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 51999.6 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 16595.87 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 5688.53 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 2697.74 nM PubChem BioAssay data set
NPT168 Cell Line P388 Mus musculus GI50 36728.23 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 99770.01 nM PubChem BioAssay data set
NPT575 Cell Line KM-20L2 Homo sapiens GI50 13489.63 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 22750.97 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 31768.74 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 37757.22 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 6698.85 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 3006.08 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 31988.95 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 8109.61 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 35563.13 nM PubChem BioAssay data set
NPT576 Cell Line DMS-114 Homo sapiens GI50 26730.06 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 8298.51 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 14655.48 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 10616.96 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 7030.72 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 15667.51 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 5407.54 nM PubChem BioAssay data set
NPT552 Cell Line P388/ADR Mus musculus GI50 4528.98 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 3605.79 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 24547.09 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 51168.18 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 28707.81 nM PubChem BioAssay data set
NPT578 Cell Line SNB-78 Homo sapiens GI50 164816.24 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 8851.16 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 42559.84 nM PubChem BioAssay data set
NPT579 Cell Line DLD-1 Homo sapiens GI50 3810.66 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 3483.37 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 6180.16 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 295120.92 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 8394.6 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 7345.14 nM PubChem BioAssay data set
NPT738 Cell Line SN12K1 Homo sapiens GI50 7261.06 nM PubChem BioAssay data set
NPT732 Cell Line HOP-18 Homo sapiens GI50 108893.01 nM PubChem BioAssay data set

  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 NPC224076 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
0.9859 High Similarity NPC302778
0.9859 High Similarity NPC212551
0.9718 High Similarity NPC185991
0.9718 High Similarity NPC211025
0.9718 High Similarity NPC85689
0.965 High Similarity NPC321814
0.9583 High Similarity NPC130586
0.9583 High Similarity NPC164952
0.9517 High Similarity NPC174802
0.9507 High Similarity NPC121222
0.9437 High Similarity NPC269827
0.9388 High Similarity NPC316618
0.9388 High Similarity NPC226245
0.931 High Similarity NPC161224
0.9296 High Similarity NPC156461
0.9296 High Similarity NPC21448
0.9296 High Similarity NPC107374
0.9231 High Similarity NPC189068
0.9231 High Similarity NPC164665
0.9167 High Similarity NPC309832
0.9167 High Similarity NPC219313
0.9155 High Similarity NPC229974
0.9155 High Similarity NPC314152
0.9079 High Similarity NPC323091
0.9014 High Similarity NPC209525
0.9014 High Similarity NPC161659
0.8881 High Similarity NPC317821
0.8861 High Similarity NPC326529
0.8859 High Similarity NPC472816
0.8805 High Similarity NPC319100
0.8805 High Similarity NPC324198
0.8726 High Similarity NPC326082
0.8718 High Similarity NPC261595
0.8662 High Similarity NPC324033
0.8662 High Similarity NPC321458
0.8627 High Similarity NPC239737
0.8609 High Similarity NPC207633
0.8571 High Similarity NPC189261
0.8552 High Similarity NPC129756
0.8477 Intermediate Similarity NPC150853
0.8411 Intermediate Similarity NPC136349
0.8387 Intermediate Similarity NPC311197
0.8387 Intermediate Similarity NPC54320
0.8387 Intermediate Similarity NPC313754
0.8323 Intermediate Similarity NPC52238
0.8267 Intermediate Similarity NPC89147
0.8267 Intermediate Similarity NPC274384
0.8247 Intermediate Similarity NPC328479
0.8231 Intermediate Similarity NPC33996
0.8231 Intermediate Similarity NPC30326
0.8219 Intermediate Similarity NPC320818
0.8079 Intermediate Similarity NPC251233
0.8079 Intermediate Similarity NPC211820
0.8067 Intermediate Similarity NPC186619
0.8026 Intermediate Similarity NPC177169
0.7987 Intermediate Similarity NPC195140
0.7974 Intermediate Similarity NPC64705
0.7974 Intermediate Similarity NPC232408
0.7961 Intermediate Similarity NPC318590
0.7925 Intermediate Similarity NPC93365
0.7908 Intermediate Similarity NPC317746
0.7885 Intermediate Similarity NPC326694
0.7853 Intermediate Similarity NPC324484
0.7818 Intermediate Similarity NPC290959
0.7805 Intermediate Similarity NPC325906
0.7738 Intermediate Similarity NPC313897
0.7733 Intermediate Similarity NPC61198
0.7667 Intermediate Similarity NPC262926
0.7622 Intermediate Similarity NPC14590
0.7562 Intermediate Similarity NPC321052
0.7529 Intermediate Similarity NPC24589
0.75 Intermediate Similarity NPC282458
0.75 Intermediate Similarity NPC78941
0.7483 Intermediate Similarity NPC319221
0.7417 Intermediate Similarity NPC324009
0.7303 Intermediate Similarity NPC313514
0.7215 Intermediate Similarity NPC315642
0.7215 Intermediate Similarity NPC74306
0.7076 Intermediate Similarity NPC33382
0.7035 Intermediate Similarity NPC168702
0.7035 Intermediate Similarity NPC125659
0.7021 Intermediate Similarity NPC276373
0.6984 Remote Similarity NPC5802
0.6954 Remote Similarity NPC222174
0.6947 Remote Similarity NPC157821
0.6897 Remote Similarity NPC107160
0.6842 Remote Similarity NPC321393
0.6796 Remote Similarity NPC21461
0.6733 Remote Similarity NPC327579
0.6619 Remote Similarity NPC158055
0.6552 Remote Similarity NPC250178
0.6541 Remote Similarity NPC57279
0.6528 Remote Similarity NPC476564
0.6519 Remote Similarity NPC246193
0.6519 Remote Similarity NPC104011
0.6434 Remote Similarity NPC174114
0.6434 Remote Similarity NPC87981
0.641 Remote Similarity NPC248007
0.6309 Remote Similarity NPC4837
0.6309 Remote Similarity NPC312187
0.6263 Remote Similarity NPC103388
0.6244 Remote Similarity NPC160666
0.6218 Remote Similarity NPC139776
0.6211 Remote Similarity NPC287876
0.6171 Remote Similarity NPC472834
0.6149 Remote Similarity NPC14330
0.6081 Remote Similarity NPC18335
0.5938 Remote Similarity NPC109322
0.5904 Remote Similarity NPC164845
0.5872 Remote Similarity NPC217656
0.586 Remote Similarity NPC68938
0.5838 Remote Similarity NPC89139
0.5824 Remote Similarity NPC296437
0.5789 Remote Similarity NPC470266
0.5776 Remote Similarity NPC5707
0.5769 Remote Similarity NPC313547
0.5739 Remote Similarity NPC244700
0.5723 Remote Similarity NPC476528
0.5723 Remote Similarity NPC476433
0.5706 Remote Similarity NPC180493
0.5692 Remote Similarity NPC265111
0.5691 Remote Similarity NPC472833
0.569 Remote Similarity NPC476013
0.569 Remote Similarity NPC476522
0.569 Remote Similarity NPC476520
0.569 Remote Similarity NPC474986
0.5682 Remote Similarity NPC476408
0.566 Remote Similarity NPC189314
0.5657 Remote Similarity NPC476521
0.5648 Remote Similarity NPC473585
0.5629 Remote Similarity NPC476561

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC224076 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
1.0 High Similarity NPD169 Phase 2
0.9718 High Similarity NPD283 Approved
0.9583 High Similarity NPD242 Approved
0.9583 High Similarity NPD338 Approved
0.9517 High Similarity NPD339 Approved
0.9437 High Similarity NPD186 Discovery
0.9296 High Similarity NPD250 Approved
0.9296 High Similarity NPD249 Approved
0.9167 High Similarity NPD195 Approved
0.9155 High Similarity NPD185 Approved
0.9028 High Similarity NPD166 Approved
0.8839 High Similarity NPD7988 Suspended
0.8805 High Similarity NPD4171 Clinical (unspecified phase)
0.88 High Similarity NPD1369 Phase 2
0.88 High Similarity NPD3107 Discontinued
0.88 High Similarity NPD1750 Clinical (unspecified phase)
0.875 High Similarity NPD193 Suspended
0.875 High Similarity NPD1412 Clinical (unspecified phase)
0.875 High Similarity NPD2646 Discontinued
0.8718 High Similarity NPD247 Clinical (unspecified phase)
0.8645 High Similarity NPD3083 Approved
0.8627 High Similarity NPD1732 Phase 3
0.8627 High Similarity NPD2624 Phase 2
0.8528 High Similarity NPD4716 Approved
0.8476 Intermediate Similarity NPD4744 Clinical (unspecified phase)
0.8411 Intermediate Similarity NPD548 Clinical (unspecified phase)
0.8387 Intermediate Similarity NPD218 Approved
0.8387 Intermediate Similarity NPD217 Approved
0.8387 Intermediate Similarity NPD220 Clinical (unspecified phase)
0.8387 Intermediate Similarity NPD216 Approved
0.8387 Intermediate Similarity NPD219 Phase 3
0.8313 Intermediate Similarity NPD2647 Phase 3
0.8284 Intermediate Similarity NPD2632 Approved
0.8284 Intermediate Similarity NPD2631 Clinical (unspecified phase)
0.8284 Intermediate Similarity NPD2630 Approved
0.8194 Intermediate Similarity NPD213 Clinical (unspecified phase)
0.8194 Intermediate Similarity NPD214 Approved
0.8171 Intermediate Similarity NPD5666 Phase 2
0.8166 Intermediate Similarity NPD6417 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD248 Discontinued
0.7931 Intermediate Similarity NPD9633 Phase 3
0.7925 Intermediate Similarity NPD546 Clinical (unspecified phase)
0.7908 Intermediate Similarity NPD7158 Phase 1
0.7877 Intermediate Similarity NPD9632 Phase 3
0.7847 Intermediate Similarity NPD9408 Phase 3
0.7805 Intermediate Similarity NPD1776 Approved
0.7805 Intermediate Similarity NPD1777 Approved
0.7771 Intermediate Similarity NPD3085 Phase 1
0.7764 Intermediate Similarity NPD4074 Clinical (unspecified phase)
0.774 Intermediate Similarity NPD870 Clinical (unspecified phase)
0.7733 Intermediate Similarity NPD252 Clinical (unspecified phase)
0.7722 Intermediate Similarity NPD3086 Phase 3
0.7644 Intermediate Similarity NPD5684 Clinical (unspecified phase)
0.7644 Intermediate Similarity NPD5683 Clinical (unspecified phase)
0.7644 Intermediate Similarity NPD5682 Phase 3
0.763 Intermediate Similarity NPD1692 Approved
0.7561 Intermediate Similarity NPD516 Clinical (unspecified phase)
0.7532 Intermediate Similarity NPD549 Approved
0.7514 Intermediate Similarity NPD4054 Clinical (unspecified phase)
0.7434 Intermediate Similarity NPD194 Clinical (unspecified phase)
0.7419 Intermediate Similarity NPD3695 Approved
0.7419 Intermediate Similarity NPD3696 Approved
0.7346 Intermediate Similarity NPD536 Clinical (unspecified phase)
0.7303 Intermediate Similarity NPD7138 Phase 2
0.7247 Intermediate Similarity NPD1063 Phase 2
0.7215 Intermediate Similarity NPD582 Approved
0.7125 Intermediate Similarity NPD171 Discontinued
0.7117 Intermediate Similarity NPD3708 Phase 2
0.7073 Intermediate Similarity NPD353 Discontinued
0.7068 Intermediate Similarity NPD2824 Phase 2
0.7063 Intermediate Similarity NPD4240 Approved
0.7 Intermediate Similarity NPD2965 Clinical (unspecified phase)
0.6963 Remote Similarity NPD2877 Clinical (unspecified phase)
0.6963 Remote Similarity NPD2876 Phase 3
0.6928 Remote Similarity NPD231 Clinical (unspecified phase)
0.6923 Remote Similarity NPD2903 Clinical (unspecified phase)
0.6923 Remote Similarity NPD2902 Phase 2
0.691 Remote Similarity NPD1046 Clinical (unspecified phase)
0.6869 Remote Similarity NPD5080 Phase 2
0.6826 Remote Similarity NPD9605 Phase 3
0.6818 Remote Similarity NPD5079 Phase 2
0.6779 Remote Similarity NPD9606 Approved
0.6733 Remote Similarity NPD9607 Approved
0.665 Remote Similarity NPD4495 Phase 1
0.6619 Remote Similarity NPD6840 Approved
0.6604 Remote Similarity NPD209 Clinical (unspecified phase)
0.6579 Remote Similarity NPD9409 Discontinued
0.6541 Remote Similarity NPD545 Clinical (unspecified phase)
0.6477 Remote Similarity NPD527 Clinical (unspecified phase)
0.6467 Remote Similarity NPD1730 Discontinued
0.6467 Remote Similarity NPD9374 Approved
0.6443 Remote Similarity NPD9373 Approved
0.6438 Remote Similarity NPD547 Clinical (unspecified phase)
0.641 Remote Similarity NPD9084 Phase 2
0.6405 Remote Similarity NPD307 Approved
0.6375 Remote Similarity NPD282 Approved
0.6358 Remote Similarity NPD1119 Phase 2
0.6294 Remote Similarity NPD775 Approved
0.6263 Remote Similarity NPD2152 Clinical (unspecified phase)
0.6244 Remote Similarity NPD4459 Clinical (unspecified phase)
0.6244 Remote Similarity NPD4458 Phase 2
0.6228 Remote Similarity NPD1431 Approved
0.6228 Remote Similarity NPD2253 Discontinued
0.6228 Remote Similarity NPD1430 Approved
0.6211 Remote Similarity NPD8829 Clinical (unspecified phase)
0.6196 Remote Similarity NPD9083 Clinical (unspecified phase)
0.6196 Remote Similarity NPD1058 Discontinued
0.6182 Remote Similarity NPD6112 Approved
0.6178 Remote Similarity NPD207 Discontinued
0.6144 Remote Similarity NPD9584 Phase 2
0.614 Remote Similarity NPD7531 Clinical (unspecified phase)
0.6089 Remote Similarity NPD2452 Phase 2
0.6089 Remote Similarity NPD2453 Phase 2
0.6089 Remote Similarity NPD2451 Phase 2
0.6089 Remote Similarity NPD2450 Phase 2
0.6087 Remote Similarity NPD1128 Approved
0.6087 Remote Similarity NPD1127 Approved
0.6081 Remote Similarity NPD8836 Approved
0.6062 Remote Similarity NPD281 Approved
0.6061 Remote Similarity NPD9484 Clinical (unspecified phase)
0.6056 Remote Similarity NPD2593 Clinical (unspecified phase)
0.6048 Remote Similarity NPD799 Phase 1
0.6048 Remote Similarity NPD1808 Phase 1
0.6019 Remote Similarity NPD6381 Phase 2
0.5976 Remote Similarity NPD1118 Discontinued
0.597 Remote Similarity NPD5486 Discontinued
0.596 Remote Similarity NPD9416 Phase 3
0.596 Remote Similarity NPD9417 Phase 3
0.596 Remote Similarity NPD691 Discontinued
0.5956 Remote Similarity NPD8250 Phase 2
0.5948 Remote Similarity NPD9375 Discontinued
0.5941 Remote Similarity NPD4715 Clinical (unspecified phase)
0.5941 Remote Similarity NPD34 Approved
0.5941 Remote Similarity NPD4713 Clinical (unspecified phase)
0.5941 Remote Similarity NPD4714 Approved
0.5938 Remote Similarity NPD798 Discontinued
0.5936 Remote Similarity NPD7502 Clinical (unspecified phase)
0.5928 Remote Similarity NPD1120 Approved
0.5928 Remote Similarity NPD1121 Approved
0.5928 Remote Similarity NPD535 Approved
0.5882 Remote Similarity NPD5458 Discontinued
0.5867 Remote Similarity NPD9626 Clinical (unspecified phase)
0.5828 Remote Similarity NPD515 Phase 1
0.5814 Remote Similarity NPD1117 Clinical (unspecified phase)
0.5806 Remote Similarity NPD9582 Phase 3
0.5789 Remote Similarity NPD1816 Clinical (unspecified phase)
0.5785 Remote Similarity NPD3849 Clinical (unspecified phase)
0.5776 Remote Similarity NPD8830 Phase 3
0.5767 Remote Similarity NPD6036 Suspended
0.5732 Remote Similarity NPD9406 Approved
0.573 Remote Similarity NPD7842 Phase 2
0.5723 Remote Similarity NPD237 Clinical (unspecified phase)
0.5706 Remote Similarity NPD78 Approved
0.5706 Remote Similarity NPD9544 Approved
0.5701 Remote Similarity NPD4555 Clinical (unspecified phase)
0.5701 Remote Similarity NPD5627 Approved
0.57 Remote Similarity NPD796 Phase 2
0.5691 Remote Similarity NPD1017 Clinical (unspecified phase)
0.5665 Remote Similarity NPD5665 Clinical (unspecified phase)
0.566 Remote Similarity NPD8831 Approved
0.566 Remote Similarity NPD8833 Approved
0.5652 Remote Similarity NPD6351 Discovery
0.5633 Remote Similarity NPD757 Phase 3
0.5628 Remote Similarity NPD537 Phase 2
0.5628 Remote Similarity NPD534 Phase 2
0.5625 Remote Similarity NPD9360 Approved

Structure

External Identifiers

PubChem CID   100299
ChEMBL   CHEMBL2107085
ZINC  

Physicochemical Properties

Molecular Weight:  363.01
ALogP:  -1.3063
MLogP:  1.13
XLogP:  -2.362
# Rotatable Bonds:  5
Polar Surface Area:  164.65
# H-Bond Aceptor:  11
# H-Bond Donor:  3
# Rings:  4
# Heavy Atoms:  23

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs