Natural Product: NPC470942

Natural Product ID:  NPC470942
Common Name:   Albatrelin F
IUPAC Name:   (3R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-5,10a-dihydroxy-3,6,9-trimethyl-6b-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-[1]benzofuro[2,3-f]chromene-7,10-dione
Synonyms:   Albatrelin F
Molecular Formula:   C44H58O6
Standard InCHIKey:  BIIBZAQPPUWOPA-NGFJZNNZSA-N
Standard InCHI:  InChI=1S/C44H58O6/c1-28(2)15-11-17-30(5)19-13-20-32(7)22-26-43-36(45)27-33(8)41(47)44(43,48)50-39-35-23-25-42(10,49-40(35)38(46)34(9)37(39)43)24-14-21-31(6)18-12-16-29(3)4/h15-16,19,21-23,25,27,46,48H,11-14,17-18,20,24,26H2,1-10H3/b30-19+,31-21+,32-22+/t42-,43?,44?/m1/s1
Canonical SMILES:  C/C(=CCC12C(=O)C=C(C(=O)C2(O)Oc2c1c(C)c(O)c1c2C=C[C@@](O1)(C)CC/C=C(/CCC=C(C)C)C)C)/CC/C=C(/CCC=C(C)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
NPO10941 Albatrellus ovinus Species Albatrellaceae Eukaryota PMID[23305465]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT116 Cell Line HL-60 Homo sapiens IC50 > 40000 nM Open TG-GATES in vivo data: Hematology
NPT2 Others Unspecified IC50 > 40000 nM 23822611
NPT83 Cell Line MCF7 Homo sapiens IC50 > 40000 nM 21784631
NPT81 Cell Line A549 Homo sapiens IC50 > 40000 nM 16309322

  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 NPC470942 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
0.8807 High Similarity NPC174486
0.875 High Similarity NPC173587
0.875 High Similarity NPC475055
0.875 High Similarity NPC208120
0.8698 High Similarity NPC21016
0.8698 High Similarity NPC146584
0.8686 High Similarity NPC6709
0.8678 High Similarity NPC221820
0.8678 High Similarity NPC77179
0.8678 High Similarity NPC23553
0.8671 High Similarity NPC227906
0.8639 High Similarity NPC29055
0.8596 High Similarity NPC126204
0.8596 High Similarity NPC232936
0.8564 High Similarity NPC314020
0.8547 High Similarity NPC213416
0.8538 High Similarity NPC37870
0.8531 High Similarity NPC228209
0.8531 High Similarity NPC246153
0.8531 High Similarity NPC8927
0.8521 High Similarity NPC65746
0.8497 Intermediate Similarity NPC313717
0.8497 Intermediate Similarity NPC315306
0.8497 Intermediate Similarity NPC101107
0.8471 Intermediate Similarity NPC470694
0.8457 Intermediate Similarity NPC289244
0.8457 Intermediate Similarity NPC245975
0.8439 Intermediate Similarity NPC475805
0.8439 Intermediate Similarity NPC476637
0.843 Intermediate Similarity NPC39091
0.8427 Intermediate Similarity NPC475656
0.8427 Intermediate Similarity NPC475148
0.8427 Intermediate Similarity NPC240508
0.8421 Intermediate Similarity NPC220313
0.8421 Intermediate Similarity NPC131578
0.8421 Intermediate Similarity NPC306321
0.8421 Intermediate Similarity NPC207690
0.8421 Intermediate Similarity NPC303460
0.8421 Intermediate Similarity NPC476822
0.8421 Intermediate Similarity NPC236132
0.8421 Intermediate Similarity NPC270837
0.8421 Intermediate Similarity NPC23298
0.8421 Intermediate Similarity NPC189473
0.8409 Intermediate Similarity NPC49667
0.8409 Intermediate Similarity NPC8127
0.84 Intermediate Similarity NPC476152
0.84 Intermediate Similarity NPC30550
0.84 Intermediate Similarity NPC476229
0.8398 Intermediate Similarity NPC295436
0.8391 Intermediate Similarity NPC472276
0.8389 Intermediate Similarity NPC240808
0.8382 Intermediate Similarity NPC478060
0.8382 Intermediate Similarity NPC470374
0.8382 Intermediate Similarity NPC76482
0.8382 Intermediate Similarity NPC478059
0.8382 Intermediate Similarity NPC470377
0.8382 Intermediate Similarity NPC45760
0.8382 Intermediate Similarity NPC471975
0.8372 Intermediate Similarity NPC473908
0.8372 Intermediate Similarity NPC472450
0.8372 Intermediate Similarity NPC316262
0.8372 Intermediate Similarity NPC102372
0.8372 Intermediate Similarity NPC239752
0.8372 Intermediate Similarity NPC275780
0.8372 Intermediate Similarity NPC314653
0.8363 Intermediate Similarity NPC329760
0.8363 Intermediate Similarity NPC78332
0.8363 Intermediate Similarity NPC294965
0.8353 Intermediate Similarity NPC119224
0.8353 Intermediate Similarity NPC80375
0.8353 Intermediate Similarity NPC476980
0.8353 Intermediate Similarity NPC320359
0.8353 Intermediate Similarity NPC246478
0.8353 Intermediate Similarity NPC235018
0.8353 Intermediate Similarity NPC313368
0.8353 Intermediate Similarity NPC286422
0.8353 Intermediate Similarity NPC45146
0.8343 Intermediate Similarity NPC273843
0.8343 Intermediate Similarity NPC158226
0.8343 Intermediate Similarity NPC169018
0.8343 Intermediate Similarity NPC476159
0.8333 Intermediate Similarity NPC75141
0.8333 Intermediate Similarity NPC165456
0.8333 Intermediate Similarity NPC476146
0.8333 Intermediate Similarity NPC47634
0.8333 Intermediate Similarity NPC163130
0.8333 Intermediate Similarity NPC40089
0.8333 Intermediate Similarity NPC165979
0.8333 Intermediate Similarity NPC158329
0.8333 Intermediate Similarity NPC288813
0.8333 Intermediate Similarity NPC55422
0.8324 Intermediate Similarity NPC182693
0.8324 Intermediate Similarity NPC472449
0.8324 Intermediate Similarity NPC476056
0.8324 Intermediate Similarity NPC170245
0.8315 Intermediate Similarity NPC476273
0.8305 Intermediate Similarity NPC156635
0.8305 Intermediate Similarity NPC227275
0.8305 Intermediate Similarity NPC98943
0.8304 Intermediate Similarity NPC66288
0.8304 Intermediate Similarity NPC32694
0.8304 Intermediate Similarity NPC259456
0.8304 Intermediate Similarity NPC278427
0.8304 Intermediate Similarity NPC167678
0.8304 Intermediate Similarity NPC40491
0.8304 Intermediate Similarity NPC61010
0.8304 Intermediate Similarity NPC234644
0.8304 Intermediate Similarity NPC278052
0.8304 Intermediate Similarity NPC29876
0.8304 Intermediate Similarity NPC311740
0.8295 Intermediate Similarity NPC476640
0.8295 Intermediate Similarity NPC65885
0.8295 Intermediate Similarity NPC82217
0.8295 Intermediate Similarity NPC216842
0.8294 Intermediate Similarity NPC245891
0.8294 Intermediate Similarity NPC195832
0.8294 Intermediate Similarity NPC185258
0.8294 Intermediate Similarity NPC104876
0.8294 Intermediate Similarity NPC100123
0.8294 Intermediate Similarity NPC172770
0.8294 Intermediate Similarity NPC235448
0.8286 Intermediate Similarity NPC28042
0.8286 Intermediate Similarity NPC109827
0.8286 Intermediate Similarity NPC124470
0.8284 Intermediate Similarity NPC13779
0.8284 Intermediate Similarity NPC292107
0.8284 Intermediate Similarity NPC475799
0.8284 Intermediate Similarity NPC3980
0.8278 Intermediate Similarity NPC476170
0.8276 Intermediate Similarity NPC193222
0.8276 Intermediate Similarity NPC283041
0.8276 Intermediate Similarity NPC223413
0.8276 Intermediate Similarity NPC234331
0.8276 Intermediate Similarity NPC218226
0.8276 Intermediate Similarity NPC158761
0.8276 Intermediate Similarity NPC476306
0.8274 Intermediate Similarity NPC273248
0.8266 Intermediate Similarity NPC303174
0.8266 Intermediate Similarity NPC326520
0.8266 Intermediate Similarity NPC473286
0.8266 Intermediate Similarity NPC156432
0.8266 Intermediate Similarity NPC472277
0.8266 Intermediate Similarity NPC191930
0.8266 Intermediate Similarity NPC189689
0.8258 Intermediate Similarity NPC67302
0.8258 Intermediate Similarity NPC233978
0.8256 Intermediate Similarity NPC229632
0.8256 Intermediate Similarity NPC25152
0.8256 Intermediate Similarity NPC83922
0.8256 Intermediate Similarity NPC472448
0.8256 Intermediate Similarity NPC475106
0.8256 Intermediate Similarity NPC81679
0.8251 Intermediate Similarity NPC60848
0.8249 Intermediate Similarity NPC475398
0.8249 Intermediate Similarity NPC287243
0.8246 Intermediate Similarity NPC14353
0.8246 Intermediate Similarity NPC204290
0.8246 Intermediate Similarity NPC172687
0.8246 Intermediate Similarity NPC228785
0.8246 Intermediate Similarity NPC84571
0.8246 Intermediate Similarity NPC471973
0.8246 Intermediate Similarity NPC139036
0.8246 Intermediate Similarity NPC56085
0.8246 Intermediate Similarity NPC188433
0.8242 Intermediate Similarity NPC251188
0.8239 Intermediate Similarity NPC260263
0.8239 Intermediate Similarity NPC475825
0.8239 Intermediate Similarity NPC223375
0.8239 Intermediate Similarity NPC230619
0.8239 Intermediate Similarity NPC54098
0.8235 Intermediate Similarity NPC187745
0.8235 Intermediate Similarity NPC110070
0.8235 Intermediate Similarity NPC236796
0.8235 Intermediate Similarity NPC304008
0.8235 Intermediate Similarity NPC476981
0.8235 Intermediate Similarity NPC161960
0.8235 Intermediate Similarity NPC161650
0.8235 Intermediate Similarity NPC283301
0.8235 Intermediate Similarity NPC79053
0.8235 Intermediate Similarity NPC203891
0.8235 Intermediate Similarity NPC136674
0.8235 Intermediate Similarity NPC101830
0.8229 Intermediate Similarity NPC49487
0.8229 Intermediate Similarity NPC99613
0.8229 Intermediate Similarity NPC152477
0.8225 Intermediate Similarity NPC472280
0.8218 Intermediate Similarity NPC62444
0.8218 Intermediate Similarity NPC29160
0.8218 Intermediate Similarity NPC43319
0.8218 Intermediate Similarity NPC470462
0.8218 Intermediate Similarity NPC20237
0.8214 Intermediate Similarity NPC161778
0.8214 Intermediate Similarity NPC20337
0.8214 Intermediate Similarity NPC470353
0.8212 Intermediate Similarity NPC473607
0.8212 Intermediate Similarity NPC244903
0.8208 Intermediate Similarity NPC248638
0.8208 Intermediate Similarity NPC475985
0.8208 Intermediate Similarity NPC236521
0.8208 Intermediate Similarity NPC7483

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470942 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
0.807 Intermediate Similarity NPD3882 Suspended
0.8059 Intermediate Similarity NPD2801 Approved
0.7966 Intermediate Similarity NPD3818 Discontinued
0.791 Intermediate Similarity NPD7473 Discontinued
0.7845 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7841 Intermediate Similarity NPD6232 Discontinued
0.7818 Intermediate Similarity NPD2800 Approved
0.7814 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7798 Intermediate Similarity NPD2533 Approved
0.7798 Intermediate Similarity NPD2534 Approved
0.7798 Intermediate Similarity NPD2532 Approved
0.7796 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7751 Intermediate Similarity NPD1512 Approved
0.7747 Intermediate Similarity NPD7808 Phase 3
0.7746 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7727 Intermediate Similarity NPD5494 Approved
0.7722 Intermediate Similarity NPD5844 Phase 1
0.7701 Intermediate Similarity NPD3817 Phase 2
0.7692 Intermediate Similarity NPD7251 Discontinued
0.7688 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7688 Intermediate Similarity NPD1934 Approved
0.7684 Intermediate Similarity NPD1247 Approved
0.7667 Intermediate Similarity NPD3751 Discontinued
0.7637 Intermediate Similarity NPD6797 Phase 2
0.7633 Intermediate Similarity NPD1511 Approved
0.7624 Intermediate Similarity NPD7054 Approved
0.7624 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7614 Intermediate Similarity NPD7075 Discontinued
0.7588 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7582 Intermediate Similarity NPD7074 Phase 3
0.7582 Intermediate Similarity NPD7472 Approved
0.7581 Intermediate Similarity NPD8434 Phase 2
0.7572 Intermediate Similarity NPD6599 Discontinued
0.756 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7556 Intermediate Similarity NPD6166 Phase 2
0.7556 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7556 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7543 Intermediate Similarity NPD7819 Suspended
0.7543 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7472 Intermediate Similarity NPD6234 Discontinued
0.7472 Intermediate Similarity NPD919 Approved
0.7443 Intermediate Similarity NPD1465 Phase 2
0.7425 Intermediate Similarity NPD6099 Approved
0.7425 Intermediate Similarity NPD6100 Approved
0.7405 Intermediate Similarity NPD6559 Discontinued
0.7386 Intermediate Similarity NPD6801 Discontinued
0.7384 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.736 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7348 Intermediate Similarity NPD3787 Discontinued
0.7318 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD7435 Discontinued
0.7308 Intermediate Similarity NPD3926 Phase 2
0.7303 Intermediate Similarity NPD5402 Approved
0.7293 Intermediate Similarity NPD7199 Phase 2
0.7288 Intermediate Similarity NPD37 Approved
0.7283 Intermediate Similarity NPD7228 Approved
0.7273 Intermediate Similarity NPD4380 Phase 2
0.7263 Intermediate Similarity NPD4965 Approved
0.7263 Intermediate Similarity NPD4967 Phase 2
0.7263 Intermediate Similarity NPD4966 Approved
0.7258 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7253 Intermediate Similarity NPD5711 Approved
0.7253 Intermediate Similarity NPD5710 Approved
0.7251 Intermediate Similarity NPD3750 Approved
0.7246 Intermediate Similarity NPD7907 Approved
0.7245 Intermediate Similarity NPD6776 Approved
0.7245 Intermediate Similarity NPD6782 Approved
0.7245 Intermediate Similarity NPD6780 Approved
0.7245 Intermediate Similarity NPD6778 Approved
0.7245 Intermediate Similarity NPD6777 Approved
0.7245 Intermediate Similarity NPD6781 Approved
0.7245 Intermediate Similarity NPD6779 Approved
0.7225 Intermediate Similarity NPD6799 Approved
0.7222 Intermediate Similarity NPD3749 Approved
0.7222 Intermediate Similarity NPD7698 Approved
0.7222 Intermediate Similarity NPD7696 Phase 3
0.7222 Intermediate Similarity NPD7697 Approved
0.7216 Intermediate Similarity NPD3226 Approved
0.7198 Intermediate Similarity NPD6959 Discontinued
0.7186 Intermediate Similarity NPD7871 Phase 2
0.7186 Intermediate Similarity NPD7870 Phase 2
0.7178 Intermediate Similarity NPD7874 Approved
0.7178 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7164 Intermediate Similarity NPD7701 Phase 2
0.716 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7159 Intermediate Similarity NPD1653 Approved
0.7143 Intermediate Similarity NPD7700 Phase 2
0.7143 Intermediate Similarity NPD7699 Phase 2
0.7143 Intermediate Similarity NPD6651 Approved
0.7135 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.712 Intermediate Similarity NPD8150 Discontinued
0.7111 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7102 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7077 Intermediate Similarity NPD6534 Approved
0.7077 Intermediate Similarity NPD6535 Approved
0.7076 Intermediate Similarity NPD2346 Discontinued
0.7059 Intermediate Similarity NPD7801 Approved
0.7059 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD8313 Approved
0.7053 Intermediate Similarity NPD8312 Approved
0.7035 Intermediate Similarity NPD2493 Approved
0.7035 Intermediate Similarity NPD2494 Approved
0.7029 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD6190 Approved
0.7006 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD8366 Approved
0.6994 Remote Similarity NPD6674 Discontinued
0.6986 Remote Similarity NPD4111 Phase 1
0.6986 Remote Similarity NPD4665 Approved
0.6978 Remote Similarity NPD7768 Phase 2
0.6961 Remote Similarity NPD8151 Discontinued
0.6959 Remote Similarity NPD1510 Phase 2
0.6959 Remote Similarity NPD3748 Approved
0.6954 Remote Similarity NPD4628 Phase 3
0.6951 Remote Similarity NPD6696 Suspended
0.695 Remote Similarity NPD3450 Approved
0.695 Remote Similarity NPD3452 Approved
0.6947 Remote Similarity NPD7685 Pre-registration
0.6944 Remote Similarity NPD7411 Suspended
0.6941 Remote Similarity NPD1607 Approved
0.6936 Remote Similarity NPD1549 Phase 2
0.6931 Remote Similarity NPD4583 Approved
0.6931 Remote Similarity NPD4582 Approved
0.6923 Remote Similarity NPD943 Approved
0.6919 Remote Similarity NPD8127 Discontinued
0.6919 Remote Similarity NPD2796 Approved
0.6919 Remote Similarity NPD2935 Discontinued
0.691 Remote Similarity NPD5403 Approved
0.691 Remote Similarity NPD920 Approved
0.6902 Remote Similarity NPD5537 Clinical (unspecified phase)
0.69 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6898 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6897 Remote Similarity NPD1243 Approved
0.6893 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6893 Remote Similarity NPD7783 Phase 2
0.6889 Remote Similarity NPD7028 Phase 2
0.6886 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6882 Remote Similarity NPD7229 Phase 3
0.6882 Remote Similarity NPD230 Phase 1
0.6882 Remote Similarity NPD447 Suspended
0.6881 Remote Similarity NPD4002 Approved
0.6881 Remote Similarity NPD4004 Approved
0.6879 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6879 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6869 Remote Similarity NPD8491 Approved
0.6859 Remote Similarity NPD7240 Approved
0.6857 Remote Similarity NPD8166 Discontinued
0.6857 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6854 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6847 Remote Similarity NPD8319 Approved
0.6847 Remote Similarity NPD8320 Phase 1
0.6845 Remote Similarity NPD4625 Phase 3
0.684 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6839 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6834 Remote Similarity NPD2975 Approved
0.6834 Remote Similarity NPD2974 Approved
0.6834 Remote Similarity NPD2973 Approved
0.6833 Remote Similarity NPD7458 Discontinued
0.6832 Remote Similarity NPD6823 Phase 2
0.6826 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6824 Remote Similarity NPD1240 Approved
0.681 Remote Similarity NPD8404 Phase 2
0.6809 Remote Similarity NPD2403 Approved
0.6805 Remote Similarity NPD7985 Registered
0.6805 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6798 Remote Similarity NPD5401 Approved
0.6798 Remote Similarity NPD642 Clinical (unspecified phase)
0.6788 Remote Similarity NPD3534 Clinical (unspecified phase)
0.6782 Remote Similarity NPD1471 Phase 3
0.6782 Remote Similarity NPD2344 Approved
0.6753 Remote Similarity NPD8407 Phase 2
0.6751 Remote Similarity NPD2490 Approved
0.6751 Remote Similarity NPD2488 Approved
0.675 Remote Similarity NPD8090 Clinical (unspecified phase)
0.6746 Remote Similarity NPD7095 Approved
0.6742 Remote Similarity NPD7390 Discontinued
0.6733 Remote Similarity NPD4580 Approved
0.6725 Remote Similarity NPD4060 Phase 1
0.6725 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6725 Remote Similarity NPD1613 Approved
0.6706 Remote Similarity NPD2313 Discontinued
0.6706 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6705 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6704 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6687 Remote Similarity NPD4749 Approved
0.6686 Remote Similarity NPD5124 Phase 1
0.6686 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6685 Remote Similarity NPD5760 Phase 2
0.6685 Remote Similarity NPD5761 Phase 2
0.6685 Remote Similarity NPD643 Clinical (unspecified phase)
0.6684 Remote Similarity NPD8368 Discontinued
0.6667 Remote Similarity NPD3057 Approved
0.6667 Remote Similarity NPD7982 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2799 Discontinued
0.665 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6649 Remote Similarity NPD7799 Discontinued
0.6649 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6647 Remote Similarity NPD3027 Phase 3
0.6634 Remote Similarity NPD7680 Approved

Structure

External Identifiers

PubChem CID   71524353
ChEMBL   CHEMBL2332224
ZINC  

Physicochemical Properties

Molecular Weight:  682.42
ALogP:  7.6071
MLogP:  5.64
XLogP:  9.046
# Rotatable Bonds:  26
Polar Surface Area:  93.06
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  50

Download Data

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