Natural Product: NPC200624

Natural Product ID:  NPC200624
Common Name:   (Chloromethyl)Benzene
IUPAC Name:   chloromethylbenzene
Synonyms:   Benzyl Chloride; Benzylchloride
Molecular Formula:   C7H7Cl
Standard InCHIKey:  KCXMKQUNVWSEMD-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
Canonical SMILES:  ClCc1ccccc1
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
NPO12028 Acori tataninowii rhizoma NA NA NA TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency 273.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54611.8 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 NPC200624 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
0.8475 Intermediate Similarity NPC149436
0.8475 Intermediate Similarity NPC277704
0.8333 Intermediate Similarity NPC269586
0.8333 Intermediate Similarity NPC198841
0.8197 Intermediate Similarity NPC212114
0.8197 Intermediate Similarity NPC300345
0.8197 Intermediate Similarity NPC65873
0.8197 Intermediate Similarity NPC120441
0.8065 Intermediate Similarity NPC114327
0.8065 Intermediate Similarity NPC36357
0.8065 Intermediate Similarity NPC8235
0.7937 Intermediate Similarity NPC147062
0.7937 Intermediate Similarity NPC147578
0.7937 Intermediate Similarity NPC169110
0.7812 Intermediate Similarity NPC150196
0.7812 Intermediate Similarity NPC248705
0.7812 Intermediate Similarity NPC246588
0.7812 Intermediate Similarity NPC54368
0.7812 Intermediate Similarity NPC45255
0.7812 Intermediate Similarity NPC135924
0.7812 Intermediate Similarity NPC310758
0.7812 Intermediate Similarity NPC210849
0.7812 Intermediate Similarity NPC238023
0.7778 Intermediate Similarity NPC64270
0.7692 Intermediate Similarity NPC66517
0.7692 Intermediate Similarity NPC29680
0.7692 Intermediate Similarity NPC71009
0.7692 Intermediate Similarity NPC200745
0.7692 Intermediate Similarity NPC22786
0.7576 Intermediate Similarity NPC113670
0.7576 Intermediate Similarity NPC50266
0.7576 Intermediate Similarity NPC88566
0.7576 Intermediate Similarity NPC21211
0.7544 Intermediate Similarity NPC11150
0.75 Intermediate Similarity NPC18259
0.75 Intermediate Similarity NPC119076
0.7463 Intermediate Similarity NPC32312
0.7463 Intermediate Similarity NPC155172
0.7463 Intermediate Similarity NPC291066
0.7463 Intermediate Similarity NPC198023
0.7353 Intermediate Similarity NPC178527
0.7353 Intermediate Similarity NPC36440
0.7313 Intermediate Similarity NPC45756
0.7273 Intermediate Similarity NPC134584
0.7246 Intermediate Similarity NPC6107
0.7246 Intermediate Similarity NPC52330
0.7246 Intermediate Similarity NPC267443
0.7143 Intermediate Similarity NPC82770
0.7143 Intermediate Similarity NPC181786
0.7143 Intermediate Similarity NPC239931
0.7143 Intermediate Similarity NPC78954
0.7143 Intermediate Similarity NPC311343
0.7101 Intermediate Similarity NPC289915
0.7101 Intermediate Similarity NPC113837
0.7042 Intermediate Similarity NPC5324
0.7042 Intermediate Similarity NPC235059
0.7042 Intermediate Similarity NPC16190
0.7042 Intermediate Similarity NPC139416
0.7042 Intermediate Similarity NPC169222
0.7042 Intermediate Similarity NPC473206
0.7042 Intermediate Similarity NPC213570
0.7042 Intermediate Similarity NPC98880
0.7042 Intermediate Similarity NPC200936
0.7042 Intermediate Similarity NPC246822
0.6962 Remote Similarity NPC149263
0.6957 Remote Similarity NPC264470
0.6944 Remote Similarity NPC229235
0.6944 Remote Similarity NPC95289
0.6944 Remote Similarity NPC72670
0.6944 Remote Similarity NPC263385
0.6944 Remote Similarity NPC251490
0.6944 Remote Similarity NPC219246
0.6849 Remote Similarity NPC208302
0.6849 Remote Similarity NPC125144
0.6849 Remote Similarity NPC158028
0.6849 Remote Similarity NPC280135
0.6849 Remote Similarity NPC121708
0.6849 Remote Similarity NPC1008
0.6849 Remote Similarity NPC326200
0.6849 Remote Similarity NPC226999
0.6849 Remote Similarity NPC155429
0.6849 Remote Similarity NPC74458
0.6849 Remote Similarity NPC87099
0.6849 Remote Similarity NPC135433
0.6849 Remote Similarity NPC193578
0.6849 Remote Similarity NPC39799
0.6757 Remote Similarity NPC1901
0.6757 Remote Similarity NPC271437
0.6757 Remote Similarity NPC212463
0.6757 Remote Similarity NPC54269
0.6757 Remote Similarity NPC285679
0.6757 Remote Similarity NPC244738
0.6667 Remote Similarity NPC122327
0.6667 Remote Similarity NPC96835
0.6667 Remote Similarity NPC208075
0.6667 Remote Similarity NPC108218
0.6667 Remote Similarity NPC258492
0.6667 Remote Similarity NPC112609
0.6667 Remote Similarity NPC113000
0.6667 Remote Similarity NPC299134
0.6667 Remote Similarity NPC22760
0.6579 Remote Similarity NPC98976
0.6579 Remote Similarity NPC206800
0.6579 Remote Similarity NPC32203
0.6579 Remote Similarity NPC189371
0.6579 Remote Similarity NPC307195
0.6579 Remote Similarity NPC276699
0.6575 Remote Similarity NPC297358
0.6548 Remote Similarity NPC12429
0.6515 Remote Similarity NPC56072
0.6494 Remote Similarity NPC271642
0.6494 Remote Similarity NPC110264
0.6494 Remote Similarity NPC302129
0.6494 Remote Similarity NPC78500
0.6494 Remote Similarity NPC175393
0.6494 Remote Similarity NPC139658
0.641 Remote Similarity NPC3190
0.641 Remote Similarity NPC290638
0.641 Remote Similarity NPC3672
0.641 Remote Similarity NPC298023
0.641 Remote Similarity NPC98269
0.641 Remote Similarity NPC66655
0.641 Remote Similarity NPC245966
0.641 Remote Similarity NPC329318
0.641 Remote Similarity NPC249018
0.641 Remote Similarity NPC287790
0.641 Remote Similarity NPC325662
0.641 Remote Similarity NPC9796
0.641 Remote Similarity NPC179726
0.6329 Remote Similarity NPC66270
0.6329 Remote Similarity NPC2785
0.6329 Remote Similarity NPC50192
0.6329 Remote Similarity NPC285470
0.6329 Remote Similarity NPC224544
0.6329 Remote Similarity NPC137847
0.6329 Remote Similarity NPC36342
0.6329 Remote Similarity NPC176228
0.6329 Remote Similarity NPC76455
0.6329 Remote Similarity NPC103488
0.6329 Remote Similarity NPC12857
0.6329 Remote Similarity NPC255345
0.6329 Remote Similarity NPC245896
0.6324 Remote Similarity NPC469807
0.625 Remote Similarity NPC300205
0.625 Remote Similarity NPC469894
0.625 Remote Similarity NPC151405
0.625 Remote Similarity NPC139901
0.625 Remote Similarity NPC272260
0.625 Remote Similarity NPC170484
0.625 Remote Similarity NPC78517
0.625 Remote Similarity NPC167577
0.625 Remote Similarity NPC159661
0.6173 Remote Similarity NPC164086
0.6173 Remote Similarity NPC95868
0.6173 Remote Similarity NPC475289
0.6173 Remote Similarity NPC121800
0.6173 Remote Similarity NPC17408
0.6173 Remote Similarity NPC475573
0.6173 Remote Similarity NPC157055
0.6173 Remote Similarity NPC164449
0.6173 Remote Similarity NPC328178
0.6173 Remote Similarity NPC127343
0.6173 Remote Similarity NPC192623
0.6173 Remote Similarity NPC315216
0.6173 Remote Similarity NPC477703
0.6173 Remote Similarity NPC184030
0.6173 Remote Similarity NPC50063
0.6173 Remote Similarity NPC309279
0.6173 Remote Similarity NPC71664
0.6173 Remote Similarity NPC285716
0.6173 Remote Similarity NPC190567
0.6098 Remote Similarity NPC242628
0.6098 Remote Similarity NPC145053
0.6098 Remote Similarity NPC100039
0.6098 Remote Similarity NPC71795
0.6098 Remote Similarity NPC273033
0.6098 Remote Similarity NPC117180
0.6098 Remote Similarity NPC165212
0.6098 Remote Similarity NPC89950
0.6098 Remote Similarity NPC73978
0.6098 Remote Similarity NPC12936
0.6098 Remote Similarity NPC133050
0.6098 Remote Similarity NPC303245
0.6098 Remote Similarity NPC231986
0.6024 Remote Similarity NPC230068
0.6024 Remote Similarity NPC121478
0.6024 Remote Similarity NPC14326
0.6024 Remote Similarity NPC99394
0.6024 Remote Similarity NPC475199
0.6024 Remote Similarity NPC106313
0.6024 Remote Similarity NPC103326
0.6024 Remote Similarity NPC323103
0.6024 Remote Similarity NPC283012
0.6024 Remote Similarity NPC329319
0.6024 Remote Similarity NPC87299
0.6024 Remote Similarity NPC103387
0.6024 Remote Similarity NPC99240
0.6024 Remote Similarity NPC73637
0.5978 Remote Similarity NPC325499
0.5952 Remote Similarity NPC273758

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC200624 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
0.7576 Intermediate Similarity NPD675 Discontinued
0.7463 Intermediate Similarity NPD173 Clinical (unspecified phase)
0.7403 Intermediate Similarity NPD1185 Approved
0.7333 Intermediate Similarity NPD1475 Approved
0.7237 Intermediate Similarity NPD914 Suspended
0.7042 Intermediate Similarity NPD9497 Clinical (unspecified phase)
0.6962 Remote Similarity NPD5288 Clinical (unspecified phase)
0.6962 Remote Similarity NPD262 Approved
0.6962 Remote Similarity NPD263 Approved
0.6849 Remote Similarity NPD292 Approved
0.6849 Remote Similarity NPD294 Approved
0.6829 Remote Similarity NPD187 Approved
0.6757 Remote Similarity NPD9728 Phase 1
0.6709 Remote Similarity NPD472 Approved
0.6667 Remote Similarity NPD80 Approved
0.6667 Remote Similarity NPD9588 Approved
0.6667 Remote Similarity NPD9592 Approved
0.6667 Remote Similarity NPD9593 Approved
0.6667 Remote Similarity NPD9591 Approved
0.6667 Remote Similarity NPD9590 Approved
0.6667 Remote Similarity NPD9594 Approved
0.6667 Remote Similarity NPD505 Clinical (unspecified phase)
0.6667 Remote Similarity NPD9589 Approved
0.6579 Remote Similarity NPD9716 Approved
0.6575 Remote Similarity NPD1673 Approved
0.6508 Remote Similarity NPD9072 Clinical (unspecified phase)
0.6471 Remote Similarity NPD9249 Phase 1
0.641 Remote Similarity NPD9294 Approved
0.641 Remote Similarity NPD4147 Approved
0.641 Remote Similarity NPD603 Approved
0.641 Remote Similarity NPD4144 Approved
0.6329 Remote Similarity NPD296 Approved
0.6329 Remote Similarity NPD225 Approved
0.6329 Remote Similarity NPD9564 Approved
0.6329 Remote Similarity NPD79 Approved
0.6329 Remote Similarity NPD9563 Approved
0.6329 Remote Similarity NPD227 Approved
0.6329 Remote Similarity NPD295 Approved
0.6329 Remote Similarity NPD293 Approved
0.6329 Remote Similarity NPD9397 Approved
0.6329 Remote Similarity NPD9393 Approved
0.625 Remote Similarity NPD590 Approved
0.625 Remote Similarity NPD9490 Approved
0.625 Remote Similarity NPD1051 Approved
0.625 Remote Similarity NPD507 Approved
0.625 Remote Similarity NPD1053 Approved
0.625 Remote Similarity NPD9251 Approved
0.625 Remote Similarity NPD1052 Approved
0.625 Remote Similarity NPD589 Approved
0.625 Remote Similarity NPD508 Approved
0.6173 Remote Similarity NPD3904 Approved
0.6173 Remote Similarity NPD5371 Approved
0.6173 Remote Similarity NPD260 Discontinued
0.6173 Remote Similarity NPD3903 Approved
0.6173 Remote Similarity NPD1507 Clinical (unspecified phase)
0.6173 Remote Similarity NPD3981 Approved
0.6173 Remote Similarity NPD5372 Approved
0.6173 Remote Similarity NPD1617 Discontinued
0.6173 Remote Similarity NPD3979 Approved
0.6111 Remote Similarity NPD2655 Approved
0.6111 Remote Similarity NPD2656 Approved
0.6098 Remote Similarity NPD4027 Approved
0.6098 Remote Similarity NPD3035 Approved
0.6098 Remote Similarity NPD942 Approved
0.6098 Remote Similarity NPD9250 Approved
0.6098 Remote Similarity NPD4026 Approved
0.6098 Remote Similarity NPD226 Approved
0.6024 Remote Similarity NPD4169 Approved
0.6024 Remote Similarity NPD4701 Clinical (unspecified phase)
0.6024 Remote Similarity NPD4170 Approved
0.5978 Remote Similarity NPD1076 Approved
0.5952 Remote Similarity NPD2001 Discontinued
0.5952 Remote Similarity NPD830 Approved
0.5952 Remote Similarity NPD3971 Phase 1
0.5952 Remote Similarity NPD9491 Approved
0.5952 Remote Similarity NPD4635 Approved
0.5952 Remote Similarity NPD423 Phase 3
0.5952 Remote Similarity NPD831 Approved
0.5952 Remote Similarity NPD1800 Clinical (unspecified phase)
0.5914 Remote Similarity NPD728 Approved
0.5914 Remote Similarity NPD9482 Approved
0.5914 Remote Similarity NPD9480 Approved
0.5914 Remote Similarity NPD9481 Approved
0.5882 Remote Similarity NPD5178 Approved
0.5882 Remote Similarity NPD4544 Approved
0.5882 Remote Similarity NPD2538 Approved
0.5882 Remote Similarity NPD785 Approved
0.5882 Remote Similarity NPD3429 Approved
0.5882 Remote Similarity NPD2539 Approved
0.5882 Remote Similarity NPD3427 Approved
0.5882 Remote Similarity NPD9395 Approved
0.5851 Remote Similarity NPD524 Approved
0.5851 Remote Similarity NPD523 Approved
0.5851 Remote Similarity NPD3097 Clinical (unspecified phase)
0.5814 Remote Similarity NPD2205 Approved
0.5814 Remote Similarity NPD2208 Approved
0.5814 Remote Similarity NPD111 Approved
0.5814 Remote Similarity NPD5734 Clinical (unspecified phase)
0.5814 Remote Similarity NPD5916 Discontinued
0.5814 Remote Similarity NPD9505 Clinical (unspecified phase)
0.5789 Remote Similarity NPD1616 Discontinued
0.5789 Remote Similarity NPD2657 Approved
0.5747 Remote Similarity NPD5252 Clinical (unspecified phase)
0.5747 Remote Similarity NPD304 Approved
0.5747 Remote Similarity NPD4636 Approved
0.5747 Remote Similarity NPD9257 Approved
0.5747 Remote Similarity NPD9259 Approved
0.5747 Remote Similarity NPD4406 Approved
0.5747 Remote Similarity NPD4409 Approved
0.5747 Remote Similarity NPD305 Approved
0.5729 Remote Similarity NPD9721 Approved
0.5729 Remote Similarity NPD9722 Approved
0.5729 Remote Similarity NPD5753 Discontinued
0.5682 Remote Similarity NPD4145 Approved
0.5682 Remote Similarity NPD650 Approved
0.5682 Remote Similarity NPD781 Approved
0.5682 Remote Similarity NPD782 Approved
0.5682 Remote Similarity NPD4793 Discontinued
0.5682 Remote Similarity NPD780 Approved
0.5682 Remote Similarity NPD1282 Approved
0.5682 Remote Similarity NPD4146 Approved
0.5682 Remote Similarity NPD506 Clinical (unspecified phase)
0.5682 Remote Similarity NPD783 Approved
0.5682 Remote Similarity NPD9538 Approved
0.5682 Remote Similarity NPD3428 Approved
0.5682 Remote Similarity NPD1087 Approved
0.5682 Remote Similarity NPD2002 Discontinued
0.5682 Remote Similarity NPD3426 Approved
0.567 Remote Similarity NPD1415 Approved
0.5647 Remote Similarity NPD9302 Approved
0.5618 Remote Similarity NPD531 Approved
0.5618 Remote Similarity NPD5675 Discontinued
0.5618 Remote Similarity NPD9186 Approved
0.5618 Remote Similarity NPD587 Approved
0.5618 Remote Similarity NPD9184 Approved
0.5618 Remote Similarity NPD1101 Approved
0.5618 Remote Similarity NPD588 Approved
0.5618 Remote Similarity NPD3345 Approved
0.5612 Remote Similarity NPD2939 Approved
0.5612 Remote Similarity NPD2937 Phase 1

Structure

External Identifiers

PubChem CID   7503
ChEMBL   CHEMBL498878
ZINC  

Physicochemical Properties

Molecular Weight:  126.02
ALogP:  0.7559
MLogP:  2.12
XLogP:  3.883
# Rotatable Bonds:  2
Polar Surface Area:  0
# H-Bond Aceptor:  0
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  8

Download Data

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