Natural Product: NPC102755

Natural Product ID:  NPC102755
Common Name:   Kumujian C
IUPAC Name:   9H-pyrido[3,4-b]indole-1-carbaldehyde
Synonyms:  
Molecular Formula:   C12H8N2O
Standard InCHIKey:  CHQBGSRZQLMDEX-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C12H8N2O/c15-7-11-12-9(5-6-13-11)8-3-1-2-4-10(8)14-12/h1-7,14H
Canonical SMILES:  O=Cc1nccc2c1[nH]c1c2cccc1
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
NPO25272 Celastrus angulatus Species Celastraceae Eukaryota TCM_Taiwan*
NPO8372 Picrasma quassioides Species Simaroubaceae Eukaryota TCMID*
NPO8707.1 Pueraria montana var. lobata Varieties Fabaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified LC50 = 32400 nM 22832321
NPT2 Others Unspecified LC50 = 67500 nM 22832321
NPT2170 Cell Line RKO Homo sapiens LC50 = 11100 nM 22832321
NPT453 Cell Line HT-1080 Homo sapiens LC50 = 67500 nM 22832321
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens Inhibition = 9.8 % 25819098

  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 NPC102755 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
0.9576 High Similarity NPC191415
0.9029 High Similarity NPC326422
0.8909 High Similarity NPC42372
0.8778 High Similarity NPC237414
0.8713 High Similarity NPC284775
0.8706 High Similarity NPC293216
0.8655 High Similarity NPC151635
0.8587 High Similarity NPC317701
0.8511 High Similarity NPC123839
0.8503 High Similarity NPC266249
0.8462 Intermediate Similarity NPC167710
0.8457 Intermediate Similarity NPC63545
0.8457 Intermediate Similarity NPC470677
0.8436 Intermediate Similarity NPC324091
0.843 Intermediate Similarity NPC252572
0.8407 Intermediate Similarity NPC79356
0.8407 Intermediate Similarity NPC102592
0.8405 Intermediate Similarity NPC201380
0.8405 Intermediate Similarity NPC179787
0.8405 Intermediate Similarity NPC469811
0.8404 Intermediate Similarity NPC116555
0.8354 Intermediate Similarity NPC321911
0.8343 Intermediate Similarity NPC242116
0.8287 Intermediate Similarity NPC476460
0.8258 Intermediate Similarity NPC110158
0.8258 Intermediate Similarity NPC477003
0.8212 Intermediate Similarity NPC133003
0.8204 Intermediate Similarity NPC325903
0.8198 Intermediate Similarity NPC114637
0.8197 Intermediate Similarity NPC304203
0.8187 Intermediate Similarity NPC478184
0.8172 Intermediate Similarity NPC81535
0.8167 Intermediate Similarity NPC62749
0.8166 Intermediate Similarity NPC236711
0.8135 Intermediate Similarity NPC118940
0.8092 Intermediate Similarity NPC56233
0.8061 Intermediate Similarity NPC27041
0.8059 Intermediate Similarity NPC76982
0.8012 Intermediate Similarity NPC474492
0.8012 Intermediate Similarity NPC293487
0.7989 Intermediate Similarity NPC73994
0.7989 Intermediate Similarity NPC88110
0.7965 Intermediate Similarity NPC470204
0.7965 Intermediate Similarity NPC122141
0.7956 Intermediate Similarity NPC21429
0.7935 Intermediate Similarity NPC154339
0.7931 Intermediate Similarity NPC115232
0.7919 Intermediate Similarity NPC470203
0.7914 Intermediate Similarity NPC128244
0.791 Intermediate Similarity NPC122436
0.7879 Intermediate Similarity NPC267811
0.7874 Intermediate Similarity NPC317105
0.7874 Intermediate Similarity NPC478182
0.7869 Intermediate Similarity NPC141612
0.7869 Intermediate Similarity NPC17273
0.7869 Intermediate Similarity NPC135601
0.7861 Intermediate Similarity NPC100104
0.7861 Intermediate Similarity NPC470680
0.7849 Intermediate Similarity NPC216550
0.7833 Intermediate Similarity NPC11126
0.7831 Intermediate Similarity NPC474916
0.7831 Intermediate Similarity NPC190296
0.7829 Intermediate Similarity NPC274229
0.7822 Intermediate Similarity NPC229893
0.7818 Intermediate Similarity NPC115611
0.7816 Intermediate Similarity NPC478185
0.7814 Intermediate Similarity NPC99939
0.7814 Intermediate Similarity NPC308931
0.7807 Intermediate Similarity NPC267343
0.7802 Intermediate Similarity NPC48938
0.7796 Intermediate Similarity NPC138370
0.7791 Intermediate Similarity NPC96102
0.7784 Intermediate Similarity NPC478183
0.7778 Intermediate Similarity NPC83774
0.7778 Intermediate Similarity NPC157583
0.7771 Intermediate Similarity NPC265100
0.776 Intermediate Similarity NPC284678
0.776 Intermediate Similarity NPC467063
0.7751 Intermediate Similarity NPC470111
0.7744 Intermediate Similarity NPC84911
0.7744 Intermediate Similarity NPC105127
0.7738 Intermediate Similarity NPC159856
0.7738 Intermediate Similarity NPC470440
0.7738 Intermediate Similarity NPC314372
0.773 Intermediate Similarity NPC278434
0.7705 Intermediate Similarity NPC470205
0.7701 Intermediate Similarity NPC80681
0.7697 Intermediate Similarity NPC97343
0.7697 Intermediate Similarity NPC91895
0.7697 Intermediate Similarity NPC471943
0.7697 Intermediate Similarity NPC32534
0.7696 Intermediate Similarity NPC477004
0.7692 Intermediate Similarity NPC61011
0.7692 Intermediate Similarity NPC288838
0.7692 Intermediate Similarity NPC24864
0.7688 Intermediate Similarity NPC103119
0.7683 Intermediate Similarity NPC261195
0.7683 Intermediate Similarity NPC29886
0.7681 Intermediate Similarity NPC260434
0.768 Intermediate Similarity NPC84827
0.768 Intermediate Similarity NPC14113
0.768 Intermediate Similarity NPC145885
0.768 Intermediate Similarity NPC132539
0.768 Intermediate Similarity NPC237188
0.7677 Intermediate Similarity NPC470702
0.7677 Intermediate Similarity NPC473218
0.767 Intermediate Similarity NPC271797
0.767 Intermediate Similarity NPC21174
0.7668 Intermediate Similarity NPC57398
0.7667 Intermediate Similarity NPC203468
0.7667 Intermediate Similarity NPC149155
0.7667 Intermediate Similarity NPC110500
0.7663 Intermediate Similarity NPC228835
0.7654 Intermediate Similarity NPC82331
0.7651 Intermediate Similarity NPC73767
0.7651 Intermediate Similarity NPC110126
0.764 Intermediate Similarity NPC78020
0.764 Intermediate Similarity NPC70949
0.7638 Intermediate Similarity NPC470703
0.7637 Intermediate Similarity NPC248041
0.7637 Intermediate Similarity NPC283219
0.7637 Intermediate Similarity NPC126709
0.7633 Intermediate Similarity NPC467188
0.7627 Intermediate Similarity NPC233380
0.7624 Intermediate Similarity NPC267885
0.7622 Intermediate Similarity NPC198988
0.7614 Intermediate Similarity NPC225018
0.7614 Intermediate Similarity NPC214106
0.7611 Intermediate Similarity NPC161861
0.7605 Intermediate Similarity NPC469779
0.7605 Intermediate Similarity NPC469768
0.7605 Intermediate Similarity NPC469780
0.7605 Intermediate Similarity NPC279081
0.7605 Intermediate Similarity NPC469783
0.7605 Intermediate Similarity NPC469761
0.7605 Intermediate Similarity NPC469767
0.7605 Intermediate Similarity NPC469784
0.7604 Intermediate Similarity NPC472297
0.7604 Intermediate Similarity NPC472296
0.76 Intermediate Similarity NPC92796
0.76 Intermediate Similarity NPC477979
0.76 Intermediate Similarity NPC135141
0.7592 Intermediate Similarity NPC141454
0.7588 Intermediate Similarity NPC471194
0.7588 Intermediate Similarity NPC471193
0.7586 Intermediate Similarity NPC469785
0.7582 Intermediate Similarity NPC240088
0.7582 Intermediate Similarity NPC473380
0.7581 Intermediate Similarity NPC94752
0.7579 Intermediate Similarity NPC202812
0.7576 Intermediate Similarity NPC325252
0.7572 Intermediate Similarity NPC251391
0.7571 Intermediate Similarity NPC274981
0.7571 Intermediate Similarity NPC182222
0.7569 Intermediate Similarity NPC469529
0.7568 Intermediate Similarity NPC46895
0.7566 Intermediate Similarity NPC272458
0.7566 Intermediate Similarity NPC47190
0.756 Intermediate Similarity NPC207686
0.756 Intermediate Similarity NPC200553
0.756 Intermediate Similarity NPC469766
0.756 Intermediate Similarity NPC279189
0.7558 Intermediate Similarity NPC24678
0.7558 Intermediate Similarity NPC105818
0.7558 Intermediate Similarity NPC471655
0.7558 Intermediate Similarity NPC473878
0.7558 Intermediate Similarity NPC53947
0.7546 Intermediate Similarity NPC82295
0.7544 Intermediate Similarity NPC471957
0.7543 Intermediate Similarity NPC469762
0.7541 Intermediate Similarity NPC12649
0.7541 Intermediate Similarity NPC265710
0.754 Intermediate Similarity NPC17059
0.7538 Intermediate Similarity NPC165599
0.7529 Intermediate Similarity NPC209362
0.7527 Intermediate Similarity NPC474958
0.7527 Intermediate Similarity NPC280852
0.7526 Intermediate Similarity NPC471944
0.7526 Intermediate Similarity NPC269886
0.7526 Intermediate Similarity NPC472210
0.7526 Intermediate Similarity NPC472295
0.7526 Intermediate Similarity NPC247735
0.7526 Intermediate Similarity NPC81802
0.7515 Intermediate Similarity NPC23215
0.7514 Intermediate Similarity NPC470679
0.7514 Intermediate Similarity NPC470233
0.7514 Intermediate Similarity NPC117027
0.7514 Intermediate Similarity NPC217021
0.7514 Intermediate Similarity NPC70406
0.75 Intermediate Similarity NPC321708
0.75 Intermediate Similarity NPC235685
0.75 Intermediate Similarity NPC284635
0.75 Intermediate Similarity NPC230002
0.75 Intermediate Similarity NPC16659
0.75 Intermediate Similarity NPC469896
0.7488 Intermediate Similarity NPC174489
0.7487 Intermediate Similarity NPC294693
0.7487 Intermediate Similarity NPC19692
0.7487 Intermediate Similarity NPC220151
0.7486 Intermediate Similarity NPC15573

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC102755 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
0.8066 Intermediate Similarity NPD4426 Clinical (unspecified phase)
0.7946 Intermediate Similarity NPD4922 Phase 2
0.7917 Intermediate Similarity NPD2008 Discontinued
0.7879 Intermediate Similarity NPD1722 Approved
0.7876 Intermediate Similarity NPD1506 Discontinued
0.7865 Intermediate Similarity NPD6288 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD3607 Clinical (unspecified phase)
0.7835 Intermediate Similarity NPD2442 Approved
0.7835 Intermediate Similarity NPD2443 Approved
0.7812 Intermediate Similarity NPD2121 Clinical (unspecified phase)
0.7807 Intermediate Similarity NPD460 Discontinued
0.7791 Intermediate Similarity NPD198 Clinical (unspecified phase)
0.779 Intermediate Similarity NPD1291 Clinical (unspecified phase)
0.7766 Intermediate Similarity NPD2411 Approved
0.7705 Intermediate Similarity NPD5728 Clinical (unspecified phase)
0.7701 Intermediate Similarity NPD6180 Clinical (unspecified phase)
0.7674 Intermediate Similarity NPD2837 Discontinued
0.7672 Intermediate Similarity NPD7619 Phase 3
0.7672 Intermediate Similarity NPD7618 Phase 3
0.7667 Intermediate Similarity NPD482 Approved
0.7653 Intermediate Similarity NPD2509 Approved
0.7653 Intermediate Similarity NPD2510 Approved
0.7651 Intermediate Similarity NPD786 Approved
0.764 Intermediate Similarity NPD1343 Approved
0.7624 Intermediate Similarity NPD749 Clinical (unspecified phase)
0.7614 Intermediate Similarity NPD1600 Suspended
0.7614 Intermediate Similarity NPD2408 Discontinued
0.7596 Intermediate Similarity NPD2481 Approved
0.7596 Intermediate Similarity NPD2479 Phase 3
0.7596 Intermediate Similarity NPD5473 Discontinued
0.7576 Intermediate Similarity NPD4051 Discontinued
0.7568 Intermediate Similarity NPD7564 Discontinued
0.7562 Intermediate Similarity NPD3393 Approved
0.7562 Intermediate Similarity NPD3389 Approved
0.7562 Intermediate Similarity NPD3394 Approved
0.7539 Intermediate Similarity NPD4848 Phase 1
0.7538 Intermediate Similarity NPD4614 Clinical (unspecified phase)
0.7513 Intermediate Similarity NPD3905 Phase 3
0.7513 Intermediate Similarity NPD1658 Discontinued
0.75 Intermediate Similarity NPD4374 Clinical (unspecified phase)
0.7487 Intermediate Similarity NPD2881 Approved
0.7487 Intermediate Similarity NPD2879 Approved
0.7459 Intermediate Similarity NPD4011 Clinical (unspecified phase)
0.7458 Intermediate Similarity NPD6454 Clinical (unspecified phase)
0.7451 Intermediate Similarity NPD5198 Approved
0.7451 Intermediate Similarity NPD5199 Approved
0.7448 Intermediate Similarity NPD1851 Clinical (unspecified phase)
0.7444 Intermediate Similarity NPD1292 Clinical (unspecified phase)
0.7444 Intermediate Similarity NPD5069 Clinical (unspecified phase)
0.7442 Intermediate Similarity NPD1270 Approved
0.7436 Intermediate Similarity NPD5017 Discontinued
0.7419 Intermediate Similarity NPD2094 Phase 2
0.7419 Intermediate Similarity NPD2095 Phase 2
0.7419 Intermediate Similarity NPD2092 Phase 2
0.7416 Intermediate Similarity NPD1853 Clinical (unspecified phase)
0.7409 Intermediate Similarity NPD2880 Discontinued
0.7399 Intermediate Similarity NPD3100 Discontinued
0.7394 Intermediate Similarity NPD5820 Clinical (unspecified phase)
0.7387 Intermediate Similarity NPD6459 Phase 2
0.7385 Intermediate Similarity NPD8248 Clinical (unspecified phase)
0.738 Intermediate Similarity NPD2096 Phase 2
0.738 Intermediate Similarity NPD2091 Phase 2
0.738 Intermediate Similarity NPD6178 Phase 3
0.7374 Intermediate Similarity NPD3583 Phase 2
0.7337 Intermediate Similarity NPD4075 Phase 2
0.7326 Intermediate Similarity NPD3319 Phase 1
0.7326 Intermediate Similarity NPD3320 Approved
0.7326 Intermediate Similarity NPD3318 Approved
0.7322 Intermediate Similarity NPD750 Phase 2
0.7283 Intermediate Similarity NPD4883 Approved
0.7283 Intermediate Similarity NPD5065 Approved
0.7278 Intermediate Similarity NPD3323 Discontinued
0.7277 Intermediate Similarity NPD5475 Discontinued
0.7273 Intermediate Similarity NPD715 Phase 3
0.7269 Intermediate Similarity NPD2921 Clinical (unspecified phase)
0.7263 Intermediate Similarity NPD4988 Discontinued
0.7257 Intermediate Similarity NPD2172 Phase 1
0.7236 Intermediate Similarity NPD5901 Discontinued
0.7231 Intermediate Similarity NPD6664 Approved
0.7219 Intermediate Similarity NPD6277 Clinical (unspecified phase)
0.7216 Intermediate Similarity NPD7024 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD4637 Clinical (unspecified phase)
0.7204 Intermediate Similarity NPD4181 Approved
0.7202 Intermediate Similarity NPD3431 Approved
0.7202 Intermediate Similarity NPD3430 Approved
0.7194 Intermediate Similarity NPD1982 Phase 1
0.7192 Intermediate Similarity NPD4863 Approved
0.7188 Intermediate Similarity NPD1905 Clinical (unspecified phase)
0.7181 Intermediate Similarity NPD1895 Discontinued
0.7173 Intermediate Similarity NPD3961 Discontinued
0.7164 Intermediate Similarity NPD6838 Clinical (unspecified phase)
0.7163 Intermediate Similarity NPD1996 Discontinued
0.7158 Intermediate Similarity NPD2640 Approved
0.7158 Intermediate Similarity NPD2641 Approved
0.7157 Intermediate Similarity NPD5854 Approved
0.715 Intermediate Similarity NPD5426 Phase 3
0.7143 Intermediate Similarity NPD7998 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7401 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD1661 Suspended
0.7143 Intermediate Similarity NPD4547 Phase 3
0.7136 Intermediate Similarity NPD5483 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD977 Approved
0.7135 Intermediate Similarity NPD975 Approved
0.7135 Intermediate Similarity NPD976 Approved
0.7135 Intermediate Similarity NPD569 Clinical (unspecified phase)
0.7128 Intermediate Similarity NPD1618 Phase 2
0.7128 Intermediate Similarity NPD6595 Phase 3
0.7127 Intermediate Similarity NPD5400 Approved
0.7122 Intermediate Similarity NPD6787 Phase 2
0.7112 Intermediate Similarity NPD3505 Approved
0.7112 Intermediate Similarity NPD3506 Approved
0.7111 Intermediate Similarity NPD2214 Approved
0.7111 Intermediate Similarity NPD2213 Approved
0.711 Intermediate Similarity NPD2006 Phase 2
0.7102 Intermediate Similarity NPD2430 Phase 2
0.71 Intermediate Similarity NPD6176 Phase 1
0.7097 Intermediate Similarity NPD4128 Approved
0.7093 Intermediate Similarity NPD3943 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD991 Phase 2
0.7091 Intermediate Similarity NPD992 Clinical (unspecified phase)
0.7085 Intermediate Similarity NPD7903 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD1627 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD1567 Clinical (unspecified phase)
0.7074 Intermediate Similarity NPD3079 Approved
0.7074 Intermediate Similarity NPD3078 Approved
0.7074 Intermediate Similarity NPD3076 Approved
0.7074 Intermediate Similarity NPD3077 Approved
0.7074 Intermediate Similarity NPD4076 Approved
0.7074 Intermediate Similarity NPD4079 Approved
0.7074 Intermediate Similarity NPD2590 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD6954 Phase 2
0.7072 Intermediate Similarity NPD1404 Approved
0.7072 Intermediate Similarity NPD1403 Approved
0.7069 Intermediate Similarity NPD1918 Clinical (unspecified phase)
0.7068 Intermediate Similarity NPD6610 Clinical (unspecified phase)
0.7065 Intermediate Similarity NPD2390 Clinical (unspecified phase)
0.7062 Intermediate Similarity NPD4463 Approved
0.7062 Intermediate Similarity NPD4462 Approved
0.7062 Intermediate Similarity NPD5592 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD4385 Clinical (unspecified phase)
0.7056 Intermediate Similarity NPD1952 Discontinued
0.7056 Intermediate Similarity NPD5446 Phase 2
0.7056 Intermediate Similarity NPD1192 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD7944 Discontinued
0.7039 Intermediate Similarity NPD5888 Phase 2
0.7031 Intermediate Similarity NPD5809 Phase 3
0.703 Intermediate Similarity NPD7289 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD4862 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD4184 Clinical (unspecified phase)
0.7022 Intermediate Similarity NPD9343 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD6203 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD2144 Approved
0.702 Intermediate Similarity NPD4987 Clinical (unspecified phase)
0.702 Intermediate Similarity NPD7204 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD200 Phase 2
0.7018 Intermediate Similarity NPD201 Phase 2
0.7011 Intermediate Similarity NPD2007 Clinical (unspecified phase)
0.701 Intermediate Similarity NPD4499 Approved
0.7009 Intermediate Similarity NPD5482 Discontinued
0.7 Intermediate Similarity NPD1783 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD4649 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD3178 Discontinued
0.6995 Remote Similarity NPD3839 Phase 2
0.6995 Remote Similarity NPD3840 Phase 2
0.6995 Remote Similarity NPD5590 Clinical (unspecified phase)
0.699 Remote Similarity NPD7455 Approved
0.699 Remote Similarity NPD7454 Approved
0.699 Remote Similarity NPD7594 Clinical (unspecified phase)
0.6989 Remote Similarity NPD3609 Approved
0.6989 Remote Similarity NPD3610 Approved
0.6989 Remote Similarity NPD1683 Approved
0.6986 Remote Similarity NPD6470 Phase 3
0.6985 Remote Similarity NPD2405 Phase 3
0.6984 Remote Similarity NPD3432 Approved
0.698 Remote Similarity NPD3247 Clinical (unspecified phase)
0.6976 Remote Similarity NPD7809 Clinical (unspecified phase)
0.6973 Remote Similarity NPD4779 Clinical (unspecified phase)
0.6971 Remote Similarity NPD5254 Discontinued
0.6971 Remote Similarity NPD4851 Clinical (unspecified phase)
0.6965 Remote Similarity NPD7187 Phase 2
0.6964 Remote Similarity NPD3476 Approved
0.6964 Remote Similarity NPD3475 Approved
0.6961 Remote Similarity NPD4326 Phase 2
0.6957 Remote Similarity NPD2915 Discontinued
0.6957 Remote Similarity NPD3794 Approved
0.6957 Remote Similarity NPD3795 Approved
0.6957 Remote Similarity NPD5744 Clinical (unspecified phase)
0.6954 Remote Similarity NPD5855 Phase 3
0.6954 Remote Similarity NPD5853 Phase 3
0.6952 Remote Similarity NPD4524 Discontinued
0.6952 Remote Similarity NPD7404 Approved
0.695 Remote Similarity NPD6479 Discontinued
0.6947 Remote Similarity NPD3927 Phase 2
0.6943 Remote Similarity NPD6217 Discontinued
0.6942 Remote Similarity NPD8013 Clinical (unspecified phase)
0.6942 Remote Similarity NPD6152 Phase 1
0.6941 Remote Similarity NPD3385 Approved
0.694 Remote Similarity NPD6771 Discontinued
0.6939 Remote Similarity NPD4376 Phase 3
0.6938 Remote Similarity NPD8000 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   5317375
ChEMBL   CHEMBL2171348
ZINC  

Physicochemical Properties

Molecular Weight:  196.06
ALogP:  -0.6128
MLogP:  2.45
XLogP:  2.939
# Rotatable Bonds:  1
Polar Surface Area:  45.75
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  15

Download Data

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Biological Activities  
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