Natural Product: NPC36498

Natural Product ID:  NPC36498
Common Name:   Pyridoxal Phosphate
IUPAC Name:   (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
Synonyms:   Pyridoxal Phosphate
Molecular Formula:   C8H10NO6P
Standard InCHIKey:  NGVDGCNFYWLIFO-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
Canonical SMILES:  O=Cc1c(COP(=O)(O)O)cnc(c1O)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
NPO1797 Homo sapiens Species Hominidae Eukaryota cerebrospinal fluid PMID[18294893]
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[16277678]
NPO20338 Mus musculus Species Muridae Eukaryota PMID[19425150]
NPO730 Escherichia coli Species Enterobacteriaceae Bacteria PMID[21988831]
NPO7103 Allium sativum Species Amaryllidaceae Eukaryota TM-MC*
NPO26293 Ginkgo biloba Species Ginkgoaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2669 Individual Protein P2X purinoceptor 1 Rattus norvegicus EC50 = 3000 nM 12213051
NPT2670 Individual Protein P2X purinoceptor 2 Homo sapiens EC50 = 39500 nM 12213051
NPT2671 Individual Protein P2X purinoceptor 4 Rattus norvegicus EC50 = 219000 nM 12213051
NPT2672 Individual Protein Dihydroorotase Homo sapiens Activity = 170 % 10.1016/0960-894X(96)00452-0
NPT2 Others Unspecified Activity = 0.01 nM 12904072
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 398 12904072
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 2253 12904072
NPT2673 Individual Protein Trans-sialidase Trypanosoma cruzi Ki = 7300000 nM 19144516
NPT2 Others Unspecified Inhibition = 65 % 20335038
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 19952.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Ki = 200000 nM 21944860
NPT2 Others Unspecified Ki = 130000 nM 21944860
NPT445 Individual Protein Peripheral myelin protein 22 Rattus norvegicus Potency 9074.3 nM PubChem BioAssay data set
NPT2674 Individual Protein P2X purinoceptor 1 Homo sapiens IC50 = 10000 nM 23510563
NPT2675 Individual Protein P2X purinoceptor 3 Homo sapiens Inhibition = 20.1 % 23510563
NPT2676 Individual Protein P2X purinoceptor 1 Mus musculus Inhibition = 13.2 % 23510563
NPT2 Others Unspecified Inhibition = 68 % 25149510

  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 NPC36498 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
0.9521 High Similarity NPC52831
0.9521 High Similarity NPC325705
0.8976 High Similarity NPC211187
0.8765 High Similarity NPC256828
0.8503 High Similarity NPC63562
0.8402 Intermediate Similarity NPC269919
0.8402 Intermediate Similarity NPC132680
0.8304 Intermediate Similarity NPC324203
0.8304 Intermediate Similarity NPC63338
0.8304 Intermediate Similarity NPC322976
0.8208 Intermediate Similarity NPC263439
0.7582 Intermediate Similarity NPC253810
0.7297 Intermediate Similarity NPC273532
0.7225 Intermediate Similarity NPC207851
0.7216 Intermediate Similarity NPC220523
0.7188 Intermediate Similarity NPC241025
0.7179 Intermediate Similarity NPC114974
0.7135 Intermediate Similarity NPC41717
0.7114 Intermediate Similarity NPC155792
0.7112 Intermediate Similarity NPC302647
0.7098 Intermediate Similarity NPC295158
0.7095 Intermediate Similarity NPC314270
0.7077 Intermediate Similarity NPC75544
0.7056 Intermediate Similarity NPC56170
0.705 Intermediate Similarity NPC472284
0.7021 Intermediate Similarity NPC249614
0.6961 Remote Similarity NPC153769
0.6957 Remote Similarity NPC113812
0.6954 Remote Similarity NPC3715
0.695 Remote Similarity NPC109922
0.6942 Remote Similarity NPC316403
0.6942 Remote Similarity NPC183777
0.6931 Remote Similarity NPC252590
0.6927 Remote Similarity NPC472259
0.6923 Remote Similarity NPC311282
0.6915 Remote Similarity NPC90229
0.6902 Remote Similarity NPC116573
0.69 Remote Similarity NPC146724
0.6893 Remote Similarity NPC472287
0.6893 Remote Similarity NPC472286
0.6885 Remote Similarity NPC263455
0.6878 Remote Similarity NPC473764
0.6878 Remote Similarity NPC314940
0.6878 Remote Similarity NPC317572
0.6868 Remote Similarity NPC284348
0.6839 Remote Similarity NPC164340
0.6833 Remote Similarity NPC302159
0.6827 Remote Similarity NPC171787
0.6822 Remote Similarity NPC313804
0.6822 Remote Similarity NPC315804
0.6818 Remote Similarity NPC44354
0.6804 Remote Similarity NPC317010
0.6802 Remote Similarity NPC194040
0.6796 Remote Similarity NPC257142
0.6784 Remote Similarity NPC144381
0.6778 Remote Similarity NPC167400
0.6771 Remote Similarity NPC139763
0.6771 Remote Similarity NPC303225
0.6763 Remote Similarity NPC174421
0.6762 Remote Similarity NPC309845
0.6761 Remote Similarity NPC114310
0.6758 Remote Similarity NPC244536
0.6742 Remote Similarity NPC477112
0.6742 Remote Similarity NPC318935
0.674 Remote Similarity NPC161292
0.674 Remote Similarity NPC316224
0.6739 Remote Similarity NPC312860
0.6737 Remote Similarity NPC319456
0.6733 Remote Similarity NPC93390
0.6733 Remote Similarity NPC135950
0.6723 Remote Similarity NPC471596
0.6722 Remote Similarity NPC471598
0.6714 Remote Similarity NPC237740
0.6699 Remote Similarity NPC193238
0.6698 Remote Similarity NPC219087
0.6697 Remote Similarity NPC205372
0.6685 Remote Similarity NPC280853
0.6683 Remote Similarity NPC473821
0.6683 Remote Similarity NPC103361
0.6667 Remote Similarity NPC78767
0.6667 Remote Similarity NPC470404
0.6667 Remote Similarity NPC473057
0.6667 Remote Similarity NPC470394
0.6667 Remote Similarity NPC470403
0.6667 Remote Similarity NPC473814
0.6649 Remote Similarity NPC107287
0.6648 Remote Similarity NPC245657
0.6648 Remote Similarity NPC285016
0.6632 Remote Similarity NPC471178
0.6616 Remote Similarity NPC320394
0.661 Remote Similarity NPC29702
0.661 Remote Similarity NPC328029
0.6609 Remote Similarity NPC315320
0.6606 Remote Similarity NPC253314
0.6602 Remote Similarity NPC280714
0.6602 Remote Similarity NPC123395
0.6601 Remote Similarity NPC230403
0.6601 Remote Similarity NPC106937
0.6597 Remote Similarity NPC108469
0.6593 Remote Similarity NPC470395
0.6587 Remote Similarity NPC328318
0.6587 Remote Similarity NPC328596
0.6585 Remote Similarity NPC156704
0.6585 Remote Similarity NPC74153
0.6573 Remote Similarity NPC294375
0.657 Remote Similarity NPC213308
0.6564 Remote Similarity NPC194724
0.6553 Remote Similarity NPC317672
0.6553 Remote Similarity NPC59033
0.654 Remote Similarity NPC283117
0.6538 Remote Similarity NPC230085
0.6538 Remote Similarity NPC159630
0.6536 Remote Similarity NPC471594
0.6535 Remote Similarity NPC469489
0.6534 Remote Similarity NPC322488
0.6532 Remote Similarity NPC212125
0.6532 Remote Similarity NPC165370
0.6528 Remote Similarity NPC477110
0.6526 Remote Similarity NPC470020
0.6524 Remote Similarity NPC12944
0.6524 Remote Similarity NPC25442
0.6522 Remote Similarity NPC476167
0.6522 Remote Similarity NPC112741
0.6514 Remote Similarity NPC74360
0.6507 Remote Similarity NPC57398
0.6505 Remote Similarity NPC329024
0.6504 Remote Similarity NPC182222
0.65 Remote Similarity NPC478141
0.6498 Remote Similarity NPC472285
0.6493 Remote Similarity NPC317373
0.649 Remote Similarity NPC79223
0.6481 Remote Similarity NPC146976
0.6477 Remote Similarity NPC44161
0.6476 Remote Similarity NPC200836
0.6474 Remote Similarity NPC25899
0.6473 Remote Similarity NPC192315
0.6468 Remote Similarity NPC118084
0.6465 Remote Similarity NPC478032
0.6462 Remote Similarity NPC88008
0.6462 Remote Similarity NPC156044
0.6462 Remote Similarity NPC53344
0.6459 Remote Similarity NPC32451
0.6457 Remote Similarity NPC186351
0.6455 Remote Similarity NPC138018
0.6453 Remote Similarity NPC134637
0.6445 Remote Similarity NPC327592
0.644 Remote Similarity NPC59779
0.644 Remote Similarity NPC471177
0.644 Remote Similarity NPC124542
0.6436 Remote Similarity NPC46580
0.6436 Remote Similarity NPC209362
0.6435 Remote Similarity NPC250448
0.6435 Remote Similarity NPC236668
0.6432 Remote Similarity NPC219963
0.6429 Remote Similarity NPC211813
0.6425 Remote Similarity NPC224928
0.6418 Remote Similarity NPC314002
0.6411 Remote Similarity NPC45459
0.6411 Remote Similarity NPC315491
0.6409 Remote Similarity NPC54066
0.6406 Remote Similarity NPC97367
0.6404 Remote Similarity NPC183805
0.6398 Remote Similarity NPC53144
0.6396 Remote Similarity NPC94842
0.6394 Remote Similarity NPC324245
0.6394 Remote Similarity NPC320748
0.6393 Remote Similarity NPC131885
0.639 Remote Similarity NPC471448
0.6388 Remote Similarity NPC172222
0.6382 Remote Similarity NPC471997
0.6382 Remote Similarity NPC271792
0.6381 Remote Similarity NPC328559
0.6376 Remote Similarity NPC8022
0.6376 Remote Similarity NPC470799
0.6373 Remote Similarity NPC154339
0.6372 Remote Similarity NPC303951
0.6372 Remote Similarity NPC5145
0.6368 Remote Similarity NPC213914
0.6368 Remote Similarity NPC204717
0.6368 Remote Similarity NPC97746
0.6364 Remote Similarity NPC474767
0.6364 Remote Similarity NPC96890
0.6359 Remote Similarity NPC232225
0.6359 Remote Similarity NPC317752
0.6359 Remote Similarity NPC267343
0.6356 Remote Similarity NPC246381
0.6355 Remote Similarity NPC477111
0.6355 Remote Similarity NPC210828
0.6355 Remote Similarity NPC18348
0.6355 Remote Similarity NPC278434
0.6355 Remote Similarity NPC206186
0.6355 Remote Similarity NPC86834
0.6354 Remote Similarity NPC48192
0.6352 Remote Similarity NPC208522
0.6351 Remote Similarity NPC216612
0.6351 Remote Similarity NPC470678
0.635 Remote Similarity NPC266551
0.635 Remote Similarity NPC161887
0.6347 Remote Similarity NPC473513
0.6347 Remote Similarity NPC293151

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC36498 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 NPD9364 Phase 2
1.0 High Similarity NPD9363 Approved
0.9699 High Similarity NPD9362 Approved
0.9521 High Similarity NPD9510 Approved
0.8402 Intermediate Similarity NPD9383 Approved
0.8402 Intermediate Similarity NPD9382 Approved
0.8304 Intermediate Similarity NPD9398 Clinical (unspecified phase)
0.8162 Intermediate Similarity NPD5317 Clinical (unspecified phase)
0.7486 Intermediate Similarity NPD2123 Phase 3
0.7306 Intermediate Similarity NPD5316 Approved
0.7172 Intermediate Similarity NPD1229 Phase 2
0.7136 Intermediate Similarity NPD3779 Clinical (unspecified phase)
0.7056 Intermediate Similarity NPD9706 Clinical (unspecified phase)
0.7047 Intermediate Similarity NPD1096 Discontinued
0.7031 Intermediate Similarity NPD1783 Clinical (unspecified phase)
0.6931 Remote Similarity NPD485 Clinical (unspecified phase)
0.6901 Remote Similarity NPD7203 Clinical (unspecified phase)
0.6869 Remote Similarity NPD1213 Phase 3
0.6865 Remote Similarity NPD604 Clinical (unspecified phase)
0.6818 Remote Similarity NPD203 Clinical (unspecified phase)
0.6778 Remote Similarity NPD9075 Approved
0.6778 Remote Similarity NPD9074 Approved
0.6771 Remote Similarity NPD158 Discontinued
0.6771 Remote Similarity NPD9690 Approved
0.6758 Remote Similarity NPD4086 Phase 1
0.672 Remote Similarity NPD925 Approved
0.672 Remote Similarity NPD926 Approved
0.6712 Remote Similarity NPD5640 Discontinued
0.67 Remote Similarity NPD3321 Discontinued
0.6667 Remote Similarity NPD9506 Approved
0.6633 Remote Similarity NPD1643 Phase 3
0.6615 Remote Similarity NPD5751 Clinical (unspecified phase)
0.6609 Remote Similarity NPD9206 Approved
0.6609 Remote Similarity NPD9207 Approved
0.6601 Remote Similarity NPD802 Phase 2
0.6597 Remote Similarity NPD424 Approved
0.6597 Remote Similarity NPD425 Approved
0.6596 Remote Similarity NPD5255 Approved
0.6575 Remote Similarity NPD8356 Approved
0.6569 Remote Similarity NPD5975 Clinical (unspecified phase)
0.6561 Remote Similarity NPD112 Approved
0.6561 Remote Similarity NPD9705 Discontinued
0.6556 Remote Similarity NPD107 Approved
0.6555 Remote Similarity NPD5513 Phase 2
0.6543 Remote Similarity NPD820 Phase 3
0.6532 Remote Similarity NPD9284 Approved
0.6522 Remote Similarity NPD9271 Approved
0.6515 Remote Similarity NPD3178 Discontinued
0.6492 Remote Similarity NPD861 Approved
0.6492 Remote Similarity NPD863 Approved
0.6492 Remote Similarity NPD862 Approved
0.6489 Remote Similarity NPD7031 Phase 1
0.6473 Remote Similarity NPD1659 Phase 1
0.6457 Remote Similarity NPD8430 Approved
0.6453 Remote Similarity NPD6525 Clinical (unspecified phase)
0.6453 Remote Similarity NPD3809 Discontinued
0.6448 Remote Similarity NPD1352 Discontinued
0.6447 Remote Similarity NPD6159 Phase 2
0.6439 Remote Similarity NPD9695 Approved
0.6425 Remote Similarity NPD1622 Discontinued
0.6414 Remote Similarity NPD8304 Clinical (unspecified phase)
0.6413 Remote Similarity NPD3263 Phase 3
0.6411 Remote Similarity NPD484 Approved
0.6409 Remote Similarity NPD8479 Phase 2
0.6406 Remote Similarity NPD5088 Discontinued
0.6402 Remote Similarity NPD276 Clinical (unspecified phase)
0.6392 Remote Similarity NPD2781 Approved
0.6387 Remote Similarity NPD2511 Approved
0.6386 Remote Similarity NPD5256 Discontinued
0.6383 Remote Similarity NPD180 Clinical (unspecified phase)
0.6376 Remote Similarity NPD4958 Clinical (unspecified phase)
0.6374 Remote Similarity NPD1649 Discontinued
0.6373 Remote Similarity NPD2780 Approved
0.6373 Remote Similarity NPD2782 Approved
0.6373 Remote Similarity NPD2544 Clinical (unspecified phase)
0.6368 Remote Similarity NPD2582 Approved
0.6368 Remote Similarity NPD2581 Approved
0.6355 Remote Similarity NPD1034 Phase 3
0.6355 Remote Similarity NPD1033 Clinical (unspecified phase)
0.6347 Remote Similarity NPD3326 Clinical (unspecified phase)
0.6343 Remote Similarity NPD9080 Approved
0.6339 Remote Similarity NPD7603 Discontinued
0.6338 Remote Similarity NPD7001 Phase 3
0.6336 Remote Similarity NPD1483 Discontinued
0.6333 Remote Similarity NPD4396 Clinical (unspecified phase)
0.6311 Remote Similarity NPD6569 Phase 2
0.6311 Remote Similarity NPD9689 Approved
0.6308 Remote Similarity NPD6872 Clinical (unspecified phase)
0.6304 Remote Similarity NPD946 Discontinued
0.6302 Remote Similarity NPD1418 Phase 2
0.6296 Remote Similarity NPD648 Clinical (unspecified phase)
0.629 Remote Similarity NPD534 Phase 2
0.629 Remote Similarity NPD537 Phase 2
0.6286 Remote Similarity NPD2177 Approved
0.6286 Remote Similarity NPD2176 Approved
0.6286 Remote Similarity NPD2175 Phase 3
0.6281 Remote Similarity NPD6642 Approved
0.6281 Remote Similarity NPD6641 Approved
0.628 Remote Similarity NPD4526 Approved
0.628 Remote Similarity NPD4528 Approved
0.628 Remote Similarity NPD4529 Approved
0.6279 Remote Similarity NPD7467 Discontinued
0.6277 Remote Similarity NPD2414 Clinical (unspecified phase)
0.6276 Remote Similarity NPD565 Phase 2
0.627 Remote Similarity NPD3813 Approved
0.627 Remote Similarity NPD751 Clinical (unspecified phase)
0.6268 Remote Similarity NPD2952 Discontinued
0.6264 Remote Similarity NPD9076 Clinical (unspecified phase)
0.6262 Remote Similarity NPD2336 Approved
0.6256 Remote Similarity NPD5228 Phase 3
0.625 Remote Similarity NPD2803 Discontinued
0.6244 Remote Similarity NPD4429 Discontinued
0.6232 Remote Similarity NPD3922 Approved
0.6232 Remote Similarity NPD3923 Approved
0.6232 Remote Similarity NPD3924 Approved
0.6232 Remote Similarity NPD3921 Approved
0.6231 Remote Similarity NPD5100 Phase 3
0.6222 Remote Similarity NPD7586 Clinical (unspecified phase)
0.6215 Remote Similarity NPD2831 Approved
0.6214 Remote Similarity NPD8063 Discontinued
0.6214 Remote Similarity NPD4081 Clinical (unspecified phase)
0.6213 Remote Similarity NPD5483 Clinical (unspecified phase)
0.6209 Remote Similarity NPD6999 Discontinued
0.6209 Remote Similarity NPD7000 Clinical (unspecified phase)
0.6205 Remote Similarity NPD1568 Clinical (unspecified phase)
0.6195 Remote Similarity NPD2383 Phase 1
0.6193 Remote Similarity NPD7703 Clinical (unspecified phase)
0.6193 Remote Similarity NPD4131 Phase 3
0.619 Remote Similarity NPD3006 Discontinued
0.6188 Remote Similarity NPD7180 Phase 3
0.6186 Remote Similarity NPD6732 Clinical (unspecified phase)
0.6184 Remote Similarity NPD5022 Discontinued
0.6179 Remote Similarity NPD6389 Clinical (unspecified phase)
0.6176 Remote Similarity NPD4889 Approved
0.6174 Remote Similarity NPD5040 Clinical (unspecified phase)
0.6172 Remote Similarity NPD4427 Phase 2
0.6172 Remote Similarity NPD3395 Approved
0.6172 Remote Similarity NPD3396 Approved
0.617 Remote Similarity NPD4702 Approved
0.617 Remote Similarity NPD4703 Approved
0.6168 Remote Similarity NPD2121 Clinical (unspecified phase)
0.6164 Remote Similarity NPD7069 Discontinued
0.6157 Remote Similarity NPD796 Phase 2
0.6154 Remote Similarity NPD6665 Discontinued
0.6154 Remote Similarity NPD981 Phase 2
0.6154 Remote Similarity NPD4376 Phase 3
0.6143 Remote Similarity NPD3478 Clinical (unspecified phase)
0.6143 Remote Similarity NPD3477 Phase 2
0.6143 Remote Similarity NPD2307 Discontinued
0.6141 Remote Similarity NPD569 Clinical (unspecified phase)
0.614 Remote Similarity NPD32 Approved
0.614 Remote Similarity NPD4122 Approved
0.614 Remote Similarity NPD4039 Approved
0.614 Remote Similarity NPD2761 Approved
0.614 Remote Similarity NPD4034 Approved
0.614 Remote Similarity NPD4035 Approved
0.614 Remote Similarity NPD4036 Approved
0.614 Remote Similarity NPD4038 Approved
0.614 Remote Similarity NPD4037 Approved
0.614 Remote Similarity NPD31 Approved
0.614 Remote Similarity NPD4033 Approved
0.6134 Remote Similarity NPD687 Clinical (unspecified phase)
0.6132 Remote Similarity NPD6137 Clinical (unspecified phase)
0.6132 Remote Similarity NPD9688 Approved
0.6132 Remote Similarity NPD9687 Approved
0.6129 Remote Similarity NPD3525 Discontinued
0.6124 Remote Similarity NPD1173 Approved
0.6114 Remote Similarity NPD4671 Clinical (unspecified phase)
0.6114 Remote Similarity NPD7948 Phase 1
0.6114 Remote Similarity NPD4669 Clinical (unspecified phase)
0.6114 Remote Similarity NPD4670 Clinical (unspecified phase)
0.6111 Remote Similarity NPD2921 Clinical (unspecified phase)
0.6109 Remote Similarity NPD3986 Discontinued
0.6109 Remote Similarity NPD5149 Phase 2
0.6109 Remote Similarity NPD5482 Discontinued
0.6109 Remote Similarity NPD5148 Clinical (unspecified phase)
0.6108 Remote Similarity NPD7414 Clinical (unspecified phase)
0.6108 Remote Similarity NPD4203 Approved
0.6108 Remote Similarity NPD4204 Approved
0.6103 Remote Similarity NPD5497 Clinical (unspecified phase)
0.61 Remote Similarity NPD8370 Discontinued
0.6099 Remote Similarity NPD8405 Clinical (unspecified phase)
0.6096 Remote Similarity NPD4845 Discontinued
0.6089 Remote Similarity NPD8036 Clinical (unspecified phase)
0.6089 Remote Similarity NPD8037 Clinical (unspecified phase)
0.6089 Remote Similarity NPD1620 Clinical (unspecified phase)
0.6087 Remote Similarity NPD4021 Phase 2
0.6087 Remote Similarity NPD2896 Discontinued
0.6085 Remote Similarity NPD6790 Phase 1
0.6083 Remote Similarity NPD6290 Phase 2
0.6081 Remote Similarity NPD2433 Clinical (unspecified phase)
0.608 Remote Similarity NPD1078 Clinical (unspecified phase)
0.6077 Remote Similarity NPD4372 Phase 1
0.6077 Remote Similarity NPD1627 Clinical (unspecified phase)
0.6073 Remote Similarity NPD9596 Approved
0.6073 Remote Similarity NPD9595 Approved
0.6073 Remote Similarity NPD5965 Clinical (unspecified phase)
0.6068 Remote Similarity NPD3039 Clinical (unspecified phase)
0.6065 Remote Similarity NPD7712 Clinical (unspecified phase)
0.6065 Remote Similarity NPD3947 Discontinued

Structure

External Identifiers

PubChem CID   1051
ChEMBL   CHEMBL82202
ZINC  

Physicochemical Properties

Molecular Weight:  247.02
ALogP:  -0.5977
MLogP:  1.46
XLogP:  -1.235
# Rotatable Bonds:  8
Polar Surface Area:  126.76
# H-Bond Aceptor:  6
# H-Bond Donor:  3
# Rings:  1
# Heavy Atoms:  16

Download Data

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