Natural Product: NPC141454

Natural Product ID:  NPC141454
Common Name:   Harman-3-Carboxylic Acid
IUPAC Name:   1-methyl-9H-pyrido[3,4-b]indole-3-carboxylic acid
Synonyms:   Harman-3-Carboxylic Acid
Molecular Formula:   C13H10N2O2
Standard InCHIKey:  MFEZJNMQTQMDRQ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C13H10N2O2/c1-7-12-9(6-11(14-7)13(16)17)8-4-2-3-5-10(8)15-12/h2-6,15H,1H3,(H,16,17)
Canonical SMILES:  OC(=O)c1nc(C)c2c(c1)c1ccccc1[nH]2
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
NPO3893 Chimarrhis turbinata Species Rubiaceae Eukaryota PMID[15568781]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency 794.3 nM 22206869
NPT63 Individual Protein Bromodomain adjacent to zinc finger domain protein 2B Homo sapiens Potency 50118.7 nM 22939698
NPT1 Others Radical scavenging activity IC50 = 45500 nM 17190469
NPT2 Others Unspecified Potency 20596.2 nM PubChem BioAssay data set
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens Inhibition = 18.2 % 17923491
NPT2 Others Unspecified Potency 8199.5 nM 23079524
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 89125.1 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 56234.1 nM 10785413
NPT10 Individual Protein Geminin Homo sapiens Potency 3264.3 nM 18507474
NPT532 Individual Protein Lysine-specific demethylase 4A Homo sapiens Potency 79432.8 nM 25856683
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 79432.8 nM 541686
NPT10 Individual Protein Geminin Homo sapiens Potency 115.8 nM 18327910
NPT2 Others Unspecified Potency 31622.8 nM 16180824

  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 NPC141454 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
0.9667 High Similarity NPC165599
0.9402 High Similarity NPC244741
0.9206 High Similarity NPC89508
0.9189 High Similarity NPC132539
0.9062 High Similarity NPC312645
0.8978 High Similarity NPC57398
0.8854 High Similarity NPC118940
0.8693 High Similarity NPC229893
0.8603 High Similarity NPC219336
0.8547 High Similarity NPC217372
0.8547 High Similarity NPC183662
0.8547 High Similarity NPC15573
0.8477 Intermediate Similarity NPC477979
0.8454 Intermediate Similarity NPC266249
0.8448 Intermediate Similarity NPC322644
0.8424 Intermediate Similarity NPC160381
0.8418 Intermediate Similarity NPC82370
0.8367 Intermediate Similarity NPC123839
0.8365 Intermediate Similarity NPC57453
0.8342 Intermediate Similarity NPC476098
0.8333 Intermediate Similarity NPC221873
0.8333 Intermediate Similarity NPC471944
0.8306 Intermediate Similarity NPC314394
0.8287 Intermediate Similarity NPC151635
0.8251 Intermediate Similarity NPC469896
0.8226 Intermediate Similarity NPC62749
0.8214 Intermediate Similarity NPC321428
0.8214 Intermediate Similarity NPC270918
0.8095 Intermediate Similarity NPC83111
0.8069 Intermediate Similarity NPC322064
0.802 Intermediate Similarity NPC118228
0.799 Intermediate Similarity NPC39679
0.799 Intermediate Similarity NPC306376
0.798 Intermediate Similarity NPC36405
0.7979 Intermediate Similarity NPC102592
0.7979 Intermediate Similarity NPC79356
0.797 Intermediate Similarity NPC31700
0.7915 Intermediate Similarity NPC260434
0.7909 Intermediate Similarity NPC473800
0.7903 Intermediate Similarity NPC248041
0.7903 Intermediate Similarity NPC126709
0.7902 Intermediate Similarity NPC184408
0.7897 Intermediate Similarity NPC474916
0.7887 Intermediate Similarity NPC182222
0.788 Intermediate Similarity NPC252572
0.7876 Intermediate Similarity NPC472210
0.7876 Intermediate Similarity NPC247735
0.7876 Intermediate Similarity NPC81802
0.7876 Intermediate Similarity NPC472295
0.7876 Intermediate Similarity NPC269886
0.7872 Intermediate Similarity NPC243058
0.7872 Intermediate Similarity NPC48938
0.7871 Intermediate Similarity NPC87413
0.7865 Intermediate Similarity NPC141353
0.7864 Intermediate Similarity NPC165964
0.7861 Intermediate Similarity NPC325297
0.7854 Intermediate Similarity NPC27041
0.7854 Intermediate Similarity NPC472285
0.785 Intermediate Similarity NPC283117
0.7849 Intermediate Similarity NPC219848
0.7839 Intermediate Similarity NPC314648
0.7835 Intermediate Similarity NPC276517
0.7812 Intermediate Similarity NPC324091
0.7807 Intermediate Similarity NPC256268
0.7807 Intermediate Similarity NPC283219
0.7801 Intermediate Similarity NPC278434
0.7796 Intermediate Similarity NPC267885
0.7783 Intermediate Similarity NPC294375
0.776 Intermediate Similarity NPC63199
0.776 Intermediate Similarity NPC111602
0.776 Intermediate Similarity NPC102338
0.776 Intermediate Similarity NPC196251
0.776 Intermediate Similarity NPC175474
0.7754 Intermediate Similarity NPC111275
0.7749 Intermediate Similarity NPC90415
0.7744 Intermediate Similarity NPC202812
0.7742 Intermediate Similarity NPC110500
0.7742 Intermediate Similarity NPC303225
0.7742 Intermediate Similarity NPC203468
0.7742 Intermediate Similarity NPC149155
0.7737 Intermediate Similarity NPC203635
0.7737 Intermediate Similarity NPC207851
0.7725 Intermediate Similarity NPC191415
0.7718 Intermediate Similarity NPC3207
0.7714 Intermediate Similarity NPC51388
0.7711 Intermediate Similarity NPC300156
0.771 Intermediate Similarity NPC207686
0.7707 Intermediate Similarity NPC39500
0.7703 Intermediate Similarity NPC60621
0.7701 Intermediate Similarity NPC84347
0.7673 Intermediate Similarity NPC315545
0.7673 Intermediate Similarity NPC4687
0.7673 Intermediate Similarity NPC314297
0.7663 Intermediate Similarity NPC41717
0.766 Intermediate Similarity NPC84827
0.766 Intermediate Similarity NPC14113
0.766 Intermediate Similarity NPC145885
0.7653 Intermediate Similarity NPC220151
0.7653 Intermediate Similarity NPC19692
0.765 Intermediate Similarity NPC15801
0.7647 Intermediate Similarity NPC303951
0.7635 Intermediate Similarity NPC86834
0.7635 Intermediate Similarity NPC210828
0.763 Intermediate Similarity NPC122436
0.7626 Intermediate Similarity NPC131887
0.7624 Intermediate Similarity NPC315638
0.7624 Intermediate Similarity NPC313796
0.7624 Intermediate Similarity NPC314855
0.7624 Intermediate Similarity NPC313345
0.7622 Intermediate Similarity NPC78020
0.7621 Intermediate Similarity NPC74619
0.7612 Intermediate Similarity NPC134848
0.761 Intermediate Similarity NPC9894
0.761 Intermediate Similarity NPC23294
0.7609 Intermediate Similarity NPC115232
0.7604 Intermediate Similarity NPC133003
0.7602 Intermediate Similarity NPC230403
0.7596 Intermediate Similarity NPC293151
0.7592 Intermediate Similarity NPC159125
0.7592 Intermediate Similarity NPC102755
0.7581 Intermediate Similarity NPC474701
0.7579 Intermediate Similarity NPC91179
0.7577 Intermediate Similarity NPC321708
0.7571 Intermediate Similarity NPC174760
0.7571 Intermediate Similarity NPC323969
0.757 Intermediate Similarity NPC33949
0.7565 Intermediate Similarity NPC194040
0.7561 Intermediate Similarity NPC314834
0.7558 Intermediate Similarity NPC97902
0.7552 Intermediate Similarity NPC284678
0.7551 Intermediate Similarity NPC472292
0.7551 Intermediate Similarity NPC55493
0.755 Intermediate Similarity NPC45459
0.755 Intermediate Similarity NPC315491
0.755 Intermediate Similarity NPC213308
0.7538 Intermediate Similarity NPC67288
0.7538 Intermediate Similarity NPC144381
0.7538 Intermediate Similarity NPC52557
0.7526 Intermediate Similarity NPC55772
0.7525 Intermediate Similarity NPC472293
0.7525 Intermediate Similarity NPC245916
0.75 Intermediate Similarity NPC241024
0.75 Intermediate Similarity NPC138370
0.75 Intermediate Similarity NPC267853
0.75 Intermediate Similarity NPC476167
0.7488 Intermediate Similarity NPC472259
0.7488 Intermediate Similarity NPC194740
0.7488 Intermediate Similarity NPC274640
0.7486 Intermediate Similarity NPC13432
0.7474 Intermediate Similarity NPC235684
0.7465 Intermediate Similarity NPC244897
0.7463 Intermediate Similarity NPC195461
0.7463 Intermediate Similarity NPC79129
0.7463 Intermediate Similarity NPC81654
0.7463 Intermediate Similarity NPC249150
0.7463 Intermediate Similarity NPC313985
0.7463 Intermediate Similarity NPC49196
0.7454 Intermediate Similarity NPC472844
0.7452 Intermediate Similarity NPC472291
0.7451 Intermediate Similarity NPC45190
0.745 Intermediate Similarity NPC192315
0.745 Intermediate Similarity NPC50503
0.7449 Intermediate Similarity NPC329858
0.7449 Intermediate Similarity NPC314333
0.7449 Intermediate Similarity NPC472112
0.7442 Intermediate Similarity NPC192712
0.744 Intermediate Similarity NPC187501
0.7437 Intermediate Similarity NPC472116
0.7432 Intermediate Similarity NPC76982
0.7432 Intermediate Similarity NPC171393
0.7432 Intermediate Similarity NPC299594
0.7432 Intermediate Similarity NPC295452
0.743 Intermediate Similarity NPC179287
0.7429 Intermediate Similarity NPC85443
0.7424 Intermediate Similarity NPC258048
0.7418 Intermediate Similarity NPC144452
0.7416 Intermediate Similarity NPC116238
0.7415 Intermediate Similarity NPC249583
0.7413 Intermediate Similarity NPC472297
0.7413 Intermediate Similarity NPC472296
0.7411 Intermediate Similarity NPC178858
0.7409 Intermediate Similarity NPC143533
0.7406 Intermediate Similarity NPC272174
0.74 Intermediate Similarity NPC227582
0.7397 Intermediate Similarity NPC316411
0.7393 Intermediate Similarity NPC247803
0.7385 Intermediate Similarity NPC315555
0.7385 Intermediate Similarity NPC200553
0.7385 Intermediate Similarity NPC132329
0.7385 Intermediate Similarity NPC279189
0.7383 Intermediate Similarity NPC475271
0.7381 Intermediate Similarity NPC330009
0.7381 Intermediate Similarity NPC469928
0.738 Intermediate Similarity NPC470509
0.7377 Intermediate Similarity NPC285469
0.7376 Intermediate Similarity NPC312870
0.7376 Intermediate Similarity NPC199851
0.7376 Intermediate Similarity NPC214428
0.7376 Intermediate Similarity NPC254240
0.7376 Intermediate Similarity NPC294909

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC141454 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
0.8299 Intermediate Similarity NPD2721 Clinical (unspecified phase)
0.8256 Intermediate Similarity NPD2715 Clinical (unspecified phase)
0.8112 Intermediate Similarity NPD5901 Discontinued
0.8111 Intermediate Similarity NPD2844 Phase 3
0.7938 Intermediate Similarity NPD5003 Discontinued
0.7914 Intermediate Similarity NPD3178 Discontinued
0.7857 Intermediate Similarity NPD4554 Clinical (unspecified phase)
0.7824 Intermediate Similarity NPD2921 Clinical (unspecified phase)
0.7801 Intermediate Similarity NPD4948 Discontinued
0.7796 Intermediate Similarity NPD749 Clinical (unspecified phase)
0.7742 Intermediate Similarity NPD482 Approved
0.772 Intermediate Similarity NPD2564 Approved
0.772 Intermediate Similarity NPD2565 Phase 2
0.7713 Intermediate Similarity NPD5398 Clinical (unspecified phase)
0.7682 Intermediate Similarity NPD5483 Clinical (unspecified phase)
0.767 Intermediate Similarity NPD3757 Clinical (unspecified phase)
0.7668 Intermediate Similarity NPD1534 Approved
0.7621 Intermediate Similarity NPD3243 Approved
0.7617 Intermediate Similarity NPD6141 Clinical (unspecified phase)
0.7573 Intermediate Similarity NPD6657 Clinical (unspecified phase)
0.755 Intermediate Similarity NPD484 Approved
0.7546 Intermediate Similarity NPD6263 Clinical (unspecified phase)
0.7545 Intermediate Similarity NPD5482 Discontinued
0.7525 Intermediate Similarity NPD2121 Clinical (unspecified phase)
0.7512 Intermediate Similarity NPD4506 Discontinued
0.75 Intermediate Similarity NPD2092 Phase 2
0.75 Intermediate Similarity NPD6160 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD5728 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD2094 Phase 2
0.75 Intermediate Similarity NPD2095 Phase 2
0.75 Intermediate Similarity NPD750 Phase 2
0.7488 Intermediate Similarity NPD8097 Phase 3
0.7488 Intermediate Similarity NPD8096 Phase 3
0.7487 Intermediate Similarity NPD1326 Approved
0.7487 Intermediate Similarity NPD1325 Approved
0.7476 Intermediate Similarity NPD7998 Clinical (unspecified phase)
0.7463 Intermediate Similarity NPD4601 Approved
0.7463 Intermediate Similarity NPD4600 Approved
0.7461 Intermediate Similarity NPD2091 Phase 2
0.7461 Intermediate Similarity NPD2096 Phase 2
0.746 Intermediate Similarity NPD4736 Clinical (unspecified phase)
0.7459 Intermediate Similarity NPD1631 Approved
0.7451 Intermediate Similarity NPD4862 Clinical (unspecified phase)
0.745 Intermediate Similarity NPD4987 Clinical (unspecified phase)
0.7449 Intermediate Similarity NPD4499 Approved
0.744 Intermediate Similarity NPD7470 Discontinued
0.7411 Intermediate Similarity NPD5592 Clinical (unspecified phase)
0.7402 Intermediate Similarity NPD8098 Approved
0.7396 Intermediate Similarity NPD6452 Discontinued
0.7379 Intermediate Similarity NPD6376 Discontinued
0.7376 Intermediate Similarity NPD4500 Approved
0.7376 Intermediate Similarity NPD4501 Approved
0.7358 Intermediate Similarity NPD6770 Approved
0.7353 Intermediate Similarity NPD2920 Discontinued
0.734 Intermediate Similarity NPD5017 Discontinued
0.7333 Intermediate Similarity NPD5417 Clinical (unspecified phase)
0.733 Intermediate Similarity NPD6838 Clinical (unspecified phase)
0.7306 Intermediate Similarity NPD3746 Discontinued
0.73 Intermediate Similarity NPD4602 Approved
0.7297 Intermediate Similarity NPD1630 Approved
0.7295 Intermediate Similarity NPD2509 Approved
0.7295 Intermediate Similarity NPD2510 Approved
0.7264 Intermediate Similarity NPD6449 Clinical (unspecified phase)
0.7247 Intermediate Similarity NPD1592 Phase 3
0.7243 Intermediate Similarity NPD1996 Discontinued
0.7241 Intermediate Similarity NPD6999 Discontinued
0.7241 Intermediate Similarity NPD7000 Clinical (unspecified phase)
0.724 Intermediate Similarity NPD2951 Discontinued
0.7233 Intermediate Similarity NPD5426 Phase 3
0.7222 Intermediate Similarity NPD6965 Clinical (unspecified phase)
0.7217 Intermediate Similarity NPD3394 Approved
0.7217 Intermediate Similarity NPD3389 Approved
0.7217 Intermediate Similarity NPD3393 Approved
0.7217 Intermediate Similarity NPD2433 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD1573 Approved
0.7211 Intermediate Similarity NPD1575 Approved
0.7202 Intermediate Similarity NPD7865 Approved
0.7195 Intermediate Similarity NPD5040 Clinical (unspecified phase)
0.7192 Intermediate Similarity NPD4397 Phase 1
0.7192 Intermediate Similarity NPD7946 Pre-registration
0.719 Intermediate Similarity NPD5416 Discontinued
0.7188 Intermediate Similarity NPD5065 Approved
0.7184 Intermediate Similarity NPD6176 Phase 1
0.7169 Intermediate Similarity NPD1571 Phase 2
0.7165 Intermediate Similarity NPD1587 Approved
0.7161 Intermediate Similarity NPD5450 Discontinued
0.7156 Intermediate Similarity NPD7603 Discontinued
0.715 Intermediate Similarity NPD56 Approved
0.715 Intermediate Similarity NPD8405 Clinical (unspecified phase)
0.715 Intermediate Similarity NPD6323 Clinical (unspecified phase)
0.715 Intermediate Similarity NPD8283 Approved
0.715 Intermediate Similarity NPD5632 Approved
0.715 Intermediate Similarity NPD8282 Approved
0.7143 Intermediate Similarity NPD6753 Phase 1
0.7143 Intermediate Similarity NPD6752 Phase 1
0.7129 Intermediate Similarity NPD7666 Phase 3
0.7129 Intermediate Similarity NPD7665 Phase 2
0.7129 Intermediate Similarity NPD5975 Clinical (unspecified phase)
0.7123 Intermediate Similarity NPD6165 Phase 2
0.7123 Intermediate Similarity NPD6164 Phase 2
0.7114 Intermediate Similarity NPD6665 Discontinued
0.7107 Intermediate Similarity NPD1096 Discontinued
0.7098 Intermediate Similarity NPD6492 Phase 2
0.709 Intermediate Similarity NPD5140 Approved
0.709 Intermediate Similarity NPD5138 Approved
0.7087 Intermediate Similarity NPD7727 Phase 2
0.7083 Intermediate Similarity NPD5827 Discontinued
0.7072 Intermediate Similarity NPD1572 Phase 2
0.7067 Intermediate Similarity NPD8115 Approved
0.7067 Intermediate Similarity NPD8114 Approved
0.7065 Intermediate Similarity NPD6630 Clinical (unspecified phase)
0.7065 Intermediate Similarity NPD2336 Approved
0.7059 Intermediate Similarity NPD5479 Discontinued
0.7056 Intermediate Similarity NPD8160 Phase 2
0.7053 Intermediate Similarity NPD2915 Discontinued
0.7043 Intermediate Similarity NPD5257 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD5809 Phase 3
0.7033 Intermediate Similarity NPD7001 Phase 3
0.7028 Intermediate Similarity NPD5475 Discontinued
0.7027 Intermediate Similarity NPD6476 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD6158 Phase 2
0.7027 Intermediate Similarity NPD2882 Phase 1
0.702 Intermediate Similarity NPD6178 Phase 3
0.701 Intermediate Similarity NPD1586 Approved
0.701 Intermediate Similarity NPD5512 Phase 3
0.7005 Intermediate Similarity NPD7817 Phase 1
0.7005 Intermediate Similarity NPD1783 Clinical (unspecified phase)
0.6995 Remote Similarity NPD8093 Discontinued
0.6995 Remote Similarity NPD3776 Discontinued
0.6991 Remote Similarity NPD7878 Phase 2
0.699 Remote Similarity NPD7621 Clinical (unspecified phase)
0.6986 Remote Similarity NPD6288 Clinical (unspecified phase)
0.6986 Remote Similarity NPD6987 Phase 1
0.6986 Remote Similarity NPD3947 Discontinued
0.6986 Remote Similarity NPD6173 Approved
0.698 Remote Similarity NPD5912 Clinical (unspecified phase)
0.698 Remote Similarity NPD5913 Phase 3
0.6973 Remote Similarity NPD4462 Approved
0.6973 Remote Similarity NPD4463 Approved
0.697 Remote Similarity NPD3318 Approved
0.697 Remote Similarity NPD4558 Phase 2
0.697 Remote Similarity NPD3319 Phase 1
0.697 Remote Similarity NPD3320 Approved
0.6968 Remote Similarity NPD4326 Phase 2
0.6967 Remote Similarity NPD2916 Discontinued
0.6967 Remote Similarity NPD7947 Clinical (unspecified phase)
0.6961 Remote Similarity NPD3791 Clinical (unspecified phase)
0.6959 Remote Similarity NPD3258 Approved
0.6954 Remote Similarity NPD5473 Discontinued
0.6954 Remote Similarity NPD8464 Clinical (unspecified phase)
0.6952 Remote Similarity NPD7568 Phase 1
0.6951 Remote Similarity NPD7688 Phase 1
0.6951 Remote Similarity NPD1867 Approved
0.695 Remote Similarity NPD706 Phase 1
0.6948 Remote Similarity NPD8013 Clinical (unspecified phase)
0.6946 Remote Similarity NPD1896 Approved
0.6934 Remote Similarity NPD7941 Phase 3
0.6927 Remote Similarity NPD2307 Discontinued
0.6927 Remote Similarity NPD7818 Clinical (unspecified phase)
0.6926 Remote Similarity NPD3328 Phase 2
0.6923 Remote Similarity NPD7903 Clinical (unspecified phase)
0.6915 Remote Similarity NPD276 Clinical (unspecified phase)
0.6901 Remote Similarity NPD648 Clinical (unspecified phase)
0.6901 Remote Similarity NPD7825 Clinical (unspecified phase)
0.6901 Remote Similarity NPD4900 Clinical (unspecified phase)
0.6898 Remote Similarity NPD6733 Discontinued
0.6892 Remote Similarity NPD7694 Discontinued
0.6892 Remote Similarity NPD6292 Clinical (unspecified phase)
0.689 Remote Similarity NPD2779 Approved
0.6887 Remote Similarity NPD8399 Phase 1
0.6887 Remote Similarity NPD8423 Phase 2
0.6884 Remote Similarity NPD5596 Phase 2
0.6878 Remote Similarity NPD7618 Phase 3
0.6878 Remote Similarity NPD7619 Phase 3
0.6872 Remote Similarity NPD4901 Clinical (unspecified phase)
0.6869 Remote Similarity NPD6595 Phase 3
0.6868 Remote Similarity NPD5020 Approved
0.6866 Remote Similarity NPD4426 Clinical (unspecified phase)
0.6866 Remote Similarity NPD3315 Phase 3
0.6864 Remote Similarity NPD6824 Clinical (unspecified phase)
0.6864 Remote Similarity NPD6995 Phase 1
0.6861 Remote Similarity NPD7767 Approved
0.686 Remote Similarity NPD7777 Approved
0.686 Remote Similarity NPD7778 Approved
0.686 Remote Similarity NPD53 Approved
0.6859 Remote Similarity NPD972 Clinical (unspecified phase)
0.6857 Remote Similarity NPD4886 Phase 2
0.6856 Remote Similarity NPD4184 Clinical (unspecified phase)
0.6854 Remote Similarity NPD4520 Approved
0.6853 Remote Similarity NPD3755 Clinical (unspecified phase)
0.6852 Remote Similarity NPD3257 Approved
0.685 Remote Similarity NPD3607 Clinical (unspecified phase)
0.6849 Remote Similarity NPD6242 Discontinued
0.6847 Remote Similarity NPD8289 Discontinued
0.6845 Remote Similarity NPD1871 Approved
0.6844 Remote Similarity NPD4885 Approved
0.684 Remote Similarity NPD8322 Phase 2
0.684 Remote Similarity NPD8493 Clinical (unspecified phase)
0.6837 Remote Similarity NPD7594 Clinical (unspecified phase)
0.6835 Remote Similarity NPD7395 Discontinued

Structure

External Identifiers

PubChem CID   5406157
ChEMBL   CHEMBL504850
ZINC  

Physicochemical Properties

Molecular Weight:  226.07
ALogP:  -0.2207
MLogP:  2.45
XLogP:  2.593
# Rotatable Bonds:  3
Polar Surface Area:  65.98
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  17

Download Data

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