Drug Information

Drug ID:  NPD1182
Drug Name:  Crisaborole
Molecular Formula:  C14H10BNO3
Canonical SMILES:  N#Cc1ccc(cc1)Oc1ccc2c(c1)COB2O
Standard InCHI:  InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
Standard InCHIKey:  USZAGAREISWJDP-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD1182

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
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
Intermediate Similarity 0.7913 NPC12987
Intermediate Similarity 0.7913 NPC474603
Intermediate Similarity 0.7797 NPC75440
Intermediate Similarity 0.7788 NPC95755
Intermediate Similarity 0.7787 NPC301321
Intermediate Similarity 0.7759 NPC241224
Intermediate Similarity 0.7759 NPC38079
Intermediate Similarity 0.7759 NPC108875
Intermediate Similarity 0.775 NPC266932
Intermediate Similarity 0.7739 NPC51633
Intermediate Similarity 0.7739 NPC300166
Intermediate Similarity 0.7712 NPC258171
Intermediate Similarity 0.7692 NPC470393
Intermediate Similarity 0.7692 NPC8302
Intermediate Similarity 0.7672 NPC192596
Intermediate Similarity 0.7603 NPC55300
Intermediate Similarity 0.7565 NPC100870
Intermediate Similarity 0.7565 NPC471576
Intermediate Similarity 0.7542 NPC473855
Intermediate Similarity 0.7541 NPC165646
Intermediate Similarity 0.754 NPC256369
Intermediate Similarity 0.7521 NPC475852
Intermediate Similarity 0.752 NPC86947
Intermediate Similarity 0.75 NPC57268
Intermediate Similarity 0.75 NPC172676
Intermediate Similarity 0.75 NPC290451
Intermediate Similarity 0.75 NPC321956
Intermediate Similarity 0.75 NPC127389
Intermediate Similarity 0.75 NPC126935
Intermediate Similarity 0.75 NPC216929
Intermediate Similarity 0.75 NPC312713
Intermediate Similarity 0.75 NPC65933
Intermediate Similarity 0.748 NPC263835
Intermediate Similarity 0.7479 NPC113457
Intermediate Similarity 0.7479 NPC326801
Intermediate Similarity 0.7477 NPC177844
Intermediate Similarity 0.7477 NPC99886
Intermediate Similarity 0.7477 NPC259134
Intermediate Similarity 0.7477 NPC8002
Intermediate Similarity 0.7462 NPC94276
Intermediate Similarity 0.7462 NPC109822
Intermediate Similarity 0.7459 NPC296920
Intermediate Similarity 0.7459 NPC90520
Intermediate Similarity 0.7458 NPC283546
Intermediate Similarity 0.7458 NPC292792
Intermediate Similarity 0.7442 NPC150026
Intermediate Similarity 0.7442 NPC71090
Intermediate Similarity 0.744 NPC81067
Intermediate Similarity 0.744 NPC9341
Intermediate Similarity 0.744 NPC154256
Intermediate Similarity 0.744 NPC290470
Intermediate Similarity 0.7438 NPC82016
Intermediate Similarity 0.7438 NPC474272
Intermediate Similarity 0.7436 NPC310905
Intermediate Similarity 0.7436 NPC12714
Intermediate Similarity 0.7424 NPC198798
Intermediate Similarity 0.7424 NPC98745
Intermediate Similarity 0.7417 NPC227894
Intermediate Similarity 0.7411 NPC71853
Intermediate Similarity 0.7405 NPC81641
Intermediate Similarity 0.7402 NPC234956
Intermediate Similarity 0.7398 NPC280606
Intermediate Similarity 0.7398 NPC474920
Intermediate Similarity 0.7395 NPC128730
Intermediate Similarity 0.7385 NPC31344
Intermediate Similarity 0.7385 NPC279379
Intermediate Similarity 0.7385 NPC317769
Intermediate Similarity 0.7377 NPC31279
Intermediate Similarity 0.7377 NPC137685
Intermediate Similarity 0.7373 NPC305205
Intermediate Similarity 0.7355 NPC169450
Intermediate Similarity 0.7355 NPC291837
Intermediate Similarity 0.7355 NPC241549
Intermediate Similarity 0.7355 NPC201959
Intermediate Similarity 0.735 NPC107101
Intermediate Similarity 0.7348 NPC58607
Intermediate Similarity 0.7348 NPC262573
Intermediate Similarity 0.7348 NPC178284
Intermediate Similarity 0.7348 NPC206882
Intermediate Similarity 0.7348 NPC191037
Intermediate Similarity 0.7348 NPC471215
Intermediate Similarity 0.7339 NPC165106
Intermediate Similarity 0.7339 NPC26524
Intermediate Similarity 0.7339 NPC303522
Intermediate Similarity 0.7333 NPC176971
Intermediate Similarity 0.7328 NPC74478
Intermediate Similarity 0.7328 NPC470161
Intermediate Similarity 0.7328 NPC121783
Intermediate Similarity 0.7328 NPC256015
Intermediate Similarity 0.7328 NPC114901
Intermediate Similarity 0.7328 NPC18449
Intermediate Similarity 0.7328 NPC293701
Intermediate Similarity 0.7328 NPC294156
Intermediate Similarity 0.7328 NPC48990
Intermediate Similarity 0.7328 NPC34902
Intermediate Similarity 0.7323 NPC474214
Intermediate Similarity 0.7323 NPC474040
Intermediate Similarity 0.7323 NPC74821
Intermediate Similarity 0.7323 NPC283616
Intermediate Similarity 0.7317 NPC245552
Intermediate Similarity 0.7317 NPC255068
Intermediate Similarity 0.7308 NPC188997
Intermediate Similarity 0.7308 NPC261661
Intermediate Similarity 0.7302 NPC316062
Intermediate Similarity 0.7302 NPC203113
Intermediate Similarity 0.7302 NPC141090
Intermediate Similarity 0.7295 NPC127326
Intermediate Similarity 0.7293 NPC41706
Intermediate Similarity 0.7293 NPC292056
Intermediate Similarity 0.7293 NPC147821
Intermediate Similarity 0.7293 NPC111247
Intermediate Similarity 0.7293 NPC118787
Intermediate Similarity 0.7293 NPC163332
Intermediate Similarity 0.7293 NPC183181
Intermediate Similarity 0.7293 NPC319625
Intermediate Similarity 0.7288 NPC307425
Intermediate Similarity 0.7287 NPC472596
Intermediate Similarity 0.7287 NPC318357
Intermediate Similarity 0.7287 NPC475529
Intermediate Similarity 0.728 NPC87563
Intermediate Similarity 0.728 NPC470837
Intermediate Similarity 0.728 NPC228287
Intermediate Similarity 0.728 NPC161696
Intermediate Similarity 0.728 NPC180508
Intermediate Similarity 0.7279 NPC230219
Intermediate Similarity 0.7273 NPC194519
Intermediate Similarity 0.7273 NPC151530
Intermediate Similarity 0.7273 NPC87113
Intermediate Similarity 0.7273 NPC194034
Intermediate Similarity 0.7273 NPC157473
Intermediate Similarity 0.7273 NPC35543
Intermediate Similarity 0.7273 NPC233320
Intermediate Similarity 0.7266 NPC295259
Intermediate Similarity 0.7266 NPC163036
Intermediate Similarity 0.7266 NPC474320
Intermediate Similarity 0.7258 NPC115379
Intermediate Similarity 0.7252 NPC261992
Intermediate Similarity 0.725 NPC238115
Intermediate Similarity 0.725 NPC475269
Intermediate Similarity 0.7244 NPC474933
Intermediate Similarity 0.7244 NPC293619
Intermediate Similarity 0.7244 NPC195466
Intermediate Similarity 0.7239 NPC184733
Intermediate Similarity 0.7239 NPC11258
Intermediate Similarity 0.7239 NPC45774
Intermediate Similarity 0.7239 NPC129570
Intermediate Similarity 0.7239 NPC47283
Intermediate Similarity 0.7239 NPC21867
Intermediate Similarity 0.7239 NPC39064
Intermediate Similarity 0.7239 NPC282703
Intermediate Similarity 0.7239 NPC470084
Intermediate Similarity 0.7239 NPC72529
Intermediate Similarity 0.7239 NPC128208
Intermediate Similarity 0.7236 NPC106141
Intermediate Similarity 0.7236 NPC303521
Intermediate Similarity 0.7236 NPC25067
Intermediate Similarity 0.7236 NPC46844
Intermediate Similarity 0.7236 NPC231251
Intermediate Similarity 0.7236 NPC88868
Intermediate Similarity 0.7236 NPC2682
Intermediate Similarity 0.7236 NPC94045
Intermediate Similarity 0.7231 NPC193364
Intermediate Similarity 0.7227 NPC179686
Intermediate Similarity 0.7226 NPC26394
Intermediate Similarity 0.7222 NPC303370
Intermediate Similarity 0.7222 NPC47194
Intermediate Similarity 0.7222 NPC473264
Intermediate Similarity 0.7222 NPC473718
Intermediate Similarity 0.7222 NPC296526
Intermediate Similarity 0.7222 NPC51345
Intermediate Similarity 0.7222 NPC475815
Intermediate Similarity 0.7218 NPC112571
Intermediate Similarity 0.7218 NPC40352
Intermediate Similarity 0.7218 NPC213711
Intermediate Similarity 0.7218 NPC285725
Intermediate Similarity 0.7218 NPC50683
Intermediate Similarity 0.7217 NPC471581
Intermediate Similarity 0.7213 NPC245115
Intermediate Similarity 0.7213 NPC146530
Intermediate Similarity 0.7213 NPC309982
Intermediate Similarity 0.7209 NPC8283
Intermediate Similarity 0.7209 NPC258979
Intermediate Similarity 0.7209 NPC344161
Intermediate Similarity 0.7209 NPC93398
Intermediate Similarity 0.7203 NPC13755
Intermediate Similarity 0.72 NPC123175
Intermediate Similarity 0.72 NPC301735
Intermediate Similarity 0.72 NPC35344
Intermediate Similarity 0.72 NPC141003
Intermediate Similarity 0.72 NPC90903
Intermediate Similarity 0.72 NPC176730
Intermediate Similarity 0.7197 NPC270030
Intermediate Similarity 0.7188 NPC470626
Intermediate Similarity 0.7188 NPC277460
Intermediate Similarity 0.7185 NPC285339
Intermediate Similarity 0.7185 NPC202582
Intermediate Similarity 0.7185 NPC475875
Intermediate Similarity 0.7185 NPC86030
Intermediate Similarity 0.7185 NPC5851
Intermediate Similarity 0.7185 NPC222004

Drug Structure

External Identifiers

TTD  
DrugBank   DB05219
ChEMBL   CHEMBL484785
IUPHAR/BPS   9151
PharmaGKB  
KEGG Drug   D10873
PubChem CID  
ChEBI   134677
CAS Number  906673-24-3

Drug Properties

Molecular Weight  251.08
ALogP  -0.7222
MLogP  2.45
XLogP  2.68
HDA  3
HBD  1
Rotatable Bonds  3
TPSA  62.48
RO5 Violation  0