Drug Information

Drug ID:  NPD5609
Drug Name:  Minocycline
Molecular Formula:  C23H27N3O7
Canonical SMILES:  CN([C@@H]1C(=C(C(=N)O)C(=O)[C@@]2([C@H]1C[C@@H]1Cc3c(C(=O)C1=C2O)c(O)ccc3N(C)C)O)O)C
Standard InCHI:  InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1
Standard InCHIKey:  DYKFCLLONBREIL-KVUCHLLUSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD5609

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
High Similarity 1.0 NPC317727
Intermediate Similarity 0.8415 NPC291305
Intermediate Similarity 0.837 NPC469973
Intermediate Similarity 0.8191 NPC295531
Intermediate Similarity 0.7817 NPC39528
Intermediate Similarity 0.7662 NPC96730
Intermediate Similarity 0.7553 NPC112336
Intermediate Similarity 0.7553 NPC474814
Intermediate Similarity 0.7407 NPC471778
Intermediate Similarity 0.7358 NPC474815
Intermediate Similarity 0.7326 NPC199737
Intermediate Similarity 0.731 NPC288854
Intermediate Similarity 0.7246 NPC133156
Intermediate Similarity 0.7188 NPC126676
Intermediate Similarity 0.7188 NPC469671
Intermediate Similarity 0.7172 NPC132751
Intermediate Similarity 0.7143 NPC475983
Intermediate Similarity 0.7079 NPC70340
Remote Similarity 0.6957 NPC17677
Remote Similarity 0.6942 NPC170333
Remote Similarity 0.6934 NPC478075
Remote Similarity 0.6927 NPC204867
Remote Similarity 0.6904 NPC471743
Remote Similarity 0.6861 NPC285254
Remote Similarity 0.6857 NPC471489
Remote Similarity 0.6842 NPC17160
Remote Similarity 0.6842 NPC313720
Remote Similarity 0.6837 NPC25961
Remote Similarity 0.6833 NPC118189
Remote Similarity 0.683 NPC473458
Remote Similarity 0.6818 NPC288110
Remote Similarity 0.6816 NPC477394
Remote Similarity 0.6773 NPC182853
Remote Similarity 0.6757 NPC76478
Remote Similarity 0.6757 NPC323798
Remote Similarity 0.6756 NPC470480
Remote Similarity 0.6746 NPC316282
Remote Similarity 0.6744 NPC207873
Remote Similarity 0.6744 NPC100573
Remote Similarity 0.6728 NPC220241
Remote Similarity 0.6728 NPC295479
Remote Similarity 0.6726 NPC251071
Remote Similarity 0.6721 NPC472243
Remote Similarity 0.6716 NPC298320
Remote Similarity 0.6712 NPC298449
Remote Similarity 0.6701 NPC476231
Remote Similarity 0.67 NPC477187
Remote Similarity 0.6699 NPC5630
Remote Similarity 0.6699 NPC474059
Remote Similarity 0.6697 NPC134702
Remote Similarity 0.6667 NPC114468
Remote Similarity 0.6667 NPC144691
Remote Similarity 0.6667 NPC92803
Remote Similarity 0.6649 NPC27904
Remote Similarity 0.6635 NPC218733
Remote Similarity 0.6635 NPC132874
Remote Similarity 0.6635 NPC138615
Remote Similarity 0.6635 NPC265642
Remote Similarity 0.663 NPC238108
Remote Similarity 0.6621 NPC305542
Remote Similarity 0.662 NPC212123
Remote Similarity 0.6618 NPC471196
Remote Similarity 0.6618 NPC471195
Remote Similarity 0.6608 NPC471513
Remote Similarity 0.6607 NPC253314
Remote Similarity 0.6607 NPC7560
Remote Similarity 0.6606 NPC124086
Remote Similarity 0.6606 NPC234772
Remote Similarity 0.6601 NPC472163
Remote Similarity 0.6592 NPC222046
Remote Similarity 0.6591 NPC268223
Remote Similarity 0.6591 NPC30749
Remote Similarity 0.659 NPC90185
Remote Similarity 0.6589 NPC1464
Remote Similarity 0.6585 NPC477391
Remote Similarity 0.6584 NPC274002
Remote Similarity 0.6584 NPC126515
Remote Similarity 0.6584 NPC472331
Remote Similarity 0.6582 NPC139506
Remote Similarity 0.6582 NPC292143
Remote Similarity 0.6577 NPC246658
Remote Similarity 0.6575 NPC9894
Remote Similarity 0.657 NPC18890
Remote Similarity 0.6564 NPC93653
Remote Similarity 0.6561 NPC2905
Remote Similarity 0.6561 NPC476444
Remote Similarity 0.6561 NPC148391
Remote Similarity 0.6559 NPC472241
Remote Similarity 0.655 NPC477185
Remote Similarity 0.655 NPC477397
Remote Similarity 0.6545 NPC127996
Remote Similarity 0.6545 NPC470481
Remote Similarity 0.6545 NPC470482
Remote Similarity 0.6545 NPC116178
Remote Similarity 0.6544 NPC308943
Remote Similarity 0.6543 NPC472242
Remote Similarity 0.6542 NPC136573
Remote Similarity 0.6542 NPC176371
Remote Similarity 0.6535 NPC474081
Remote Similarity 0.6535 NPC13249
Remote Similarity 0.6533 NPC314693
Remote Similarity 0.6531 NPC191863
Remote Similarity 0.6531 NPC289776
Remote Similarity 0.6531 NPC133470
Remote Similarity 0.653 NPC474366
Remote Similarity 0.6526 NPC107828
Remote Similarity 0.6526 NPC90358
Remote Similarity 0.6522 NPC316574
Remote Similarity 0.6516 NPC217903
Remote Similarity 0.6512 NPC15987
Remote Similarity 0.6509 NPC160113
Remote Similarity 0.6509 NPC476220
Remote Similarity 0.6508 NPC146370
Remote Similarity 0.6508 NPC478039
Remote Similarity 0.65 NPC218303
Remote Similarity 0.649 NPC477998
Remote Similarity 0.649 NPC183805
Remote Similarity 0.649 NPC320088
Remote Similarity 0.6489 NPC297322
Remote Similarity 0.6488 NPC470317
Remote Similarity 0.6486 NPC190401
Remote Similarity 0.6486 NPC176113
Remote Similarity 0.6486 NPC239763
Remote Similarity 0.6485 NPC129624
Remote Similarity 0.6485 NPC475607
Remote Similarity 0.6481 NPC154922
Remote Similarity 0.6479 NPC193906
Remote Similarity 0.6479 NPC23080
Remote Similarity 0.6479 NPC311054
Remote Similarity 0.6479 NPC112752
Remote Similarity 0.6476 NPC196231
Remote Similarity 0.6474 NPC2672
Remote Similarity 0.6473 NPC262725
Remote Similarity 0.6473 NPC33902
Remote Similarity 0.6473 NPC276674
Remote Similarity 0.6473 NPC150308
Remote Similarity 0.6471 NPC119722
Remote Similarity 0.6468 NPC41501
Remote Similarity 0.6468 NPC222561
Remote Similarity 0.6465 NPC469732
Remote Similarity 0.6465 NPC472330
Remote Similarity 0.6465 NPC472329
Remote Similarity 0.646 NPC121069
Remote Similarity 0.6456 NPC477392
Remote Similarity 0.6456 NPC315934
Remote Similarity 0.6455 NPC269449
Remote Similarity 0.645 NPC316065
Remote Similarity 0.645 NPC227033
Remote Similarity 0.645 NPC289905
Remote Similarity 0.6445 NPC78284
Remote Similarity 0.6445 NPC203972
Remote Similarity 0.6445 NPC45850
Remote Similarity 0.6444 NPC471530
Remote Similarity 0.6442 NPC21425
Remote Similarity 0.6441 NPC321166
Remote Similarity 0.6441 NPC151781
Remote Similarity 0.6441 NPC74562
Remote Similarity 0.6441 NPC316181
Remote Similarity 0.6437 NPC132385
Remote Similarity 0.6436 NPC475594
Remote Similarity 0.6436 NPC95412
Remote Similarity 0.6429 NPC303384
Remote Similarity 0.6429 NPC268393
Remote Similarity 0.6429 NPC13599
Remote Similarity 0.6429 NPC298840
Remote Similarity 0.6429 NPC3214
Remote Similarity 0.6429 NPC191088
Remote Similarity 0.6425 NPC220337
Remote Similarity 0.6425 NPC68967
Remote Similarity 0.6423 NPC282346
Remote Similarity 0.6422 NPC475761
Remote Similarity 0.6422 NPC474041
Remote Similarity 0.642 NPC185172
Remote Similarity 0.6419 NPC313274
Remote Similarity 0.6417 NPC279589
Remote Similarity 0.6415 NPC198205
Remote Similarity 0.6415 NPC21483
Remote Similarity 0.6414 NPC477395
Remote Similarity 0.641 NPC291173
Remote Similarity 0.6409 NPC477160
Remote Similarity 0.6406 NPC241392
Remote Similarity 0.6402 NPC120239
Remote Similarity 0.64 NPC316368
Remote Similarity 0.64 NPC87560
Remote Similarity 0.64 NPC284236
Remote Similarity 0.6398 NPC304837
Remote Similarity 0.6398 NPC476258
Remote Similarity 0.6398 NPC206109
Remote Similarity 0.6398 NPC114039
Remote Similarity 0.6396 NPC10732
Remote Similarity 0.6393 NPC198160
Remote Similarity 0.6392 NPC45048
Remote Similarity 0.639 NPC475685
Remote Similarity 0.639 NPC39822
Remote Similarity 0.6389 NPC1991
Remote Similarity 0.6389 NPC471512
Remote Similarity 0.6385 NPC473375
Remote Similarity 0.6385 NPC303214
Remote Similarity 0.6385 NPC97100
Remote Similarity 0.6384 NPC469928

Drug Structure

External Identifiers

TTD   DAP000405
DrugBank   DB01017
ChEMBL   CHEMBL1434
IUPHAR/BPS  
PharmaGKB   PA450519
KEGG Drug   D05045
PubChem CID  
ChEBI   50694
CAS Number  10118-90-8

Drug Properties

Molecular Weight  457.18
ALogP  -2.2399
MLogP  2.89
XLogP  1.047
HDA  9
HBD  6
Rotatable Bonds  12
TPSA  165.62
RO5 Violation  1