Drug Information

Drug ID:  NPD7479
Drug Name:  RAD-1901
Molecular Formula:  C30H38N2O2
Canonical SMILES:  CCNCCc1ccc(cc1)CN(c1cc(OC)ccc1[C@@H]1CCc2c(C1)ccc(c2)O)CC
Standard InCHI:  InChI=1S/C30H38N2O2/c1-4-31-17-16-22-6-8-23(9-7-22)21-32(5-2)30-20-28(34-3)14-15-29(30)26-11-10-25-19-27(33)13-12-24(25)18-26/h6-9,12-15,19-20,26,31,33H,4-5,10-11,16-18,21H2,1-3H3/t26-/m1/s1
Standard InCHIKey:  SIFNOOUKXBRGGB-AREMUKBSSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD7479

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 0.8202 NPC33902
Intermediate Similarity 0.8202 NPC276674
Intermediate Similarity 0.8111 NPC477186
Intermediate Similarity 0.8107 NPC79328
Intermediate Similarity 0.8011 NPC320088
Intermediate Similarity 0.8011 NPC285941
Intermediate Similarity 0.7941 NPC29647
Intermediate Similarity 0.7874 NPC209377
Intermediate Similarity 0.7869 NPC474904
Intermediate Similarity 0.7869 NPC474059
Intermediate Similarity 0.7829 NPC193853
Intermediate Similarity 0.7829 NPC56887
Intermediate Similarity 0.7829 NPC195392
Intermediate Similarity 0.7829 NPC223077
Intermediate Similarity 0.7778 NPC190461
Intermediate Similarity 0.7722 NPC287588
Intermediate Similarity 0.7692 NPC207824
Intermediate Similarity 0.7692 NPC60538
Intermediate Similarity 0.7692 NPC230276
Intermediate Similarity 0.7692 NPC179704
Intermediate Similarity 0.7672 NPC17677
Intermediate Similarity 0.765 NPC249405
Intermediate Similarity 0.7647 NPC78284
Intermediate Similarity 0.7644 NPC221864
Intermediate Similarity 0.764 NPC477185
Intermediate Similarity 0.7637 NPC40496
Intermediate Similarity 0.7637 NPC119068
Intermediate Similarity 0.7632 NPC212163
Intermediate Similarity 0.7627 NPC476573
Intermediate Similarity 0.7627 NPC35627
Intermediate Similarity 0.7627 NPC81247
Intermediate Similarity 0.7611 NPC477187
Intermediate Similarity 0.7602 NPC76213
Intermediate Similarity 0.7602 NPC277669
Intermediate Similarity 0.76 NPC235143
Intermediate Similarity 0.76 NPC271388
Intermediate Similarity 0.76 NPC230956
Intermediate Similarity 0.76 NPC205255
Intermediate Similarity 0.76 NPC119649
Intermediate Similarity 0.7596 NPC257269
Intermediate Similarity 0.7592 NPC25897
Intermediate Similarity 0.7571 NPC284183
Intermediate Similarity 0.7571 NPC4138
Intermediate Similarity 0.7571 NPC121275
Intermediate Similarity 0.7566 NPC162653
Intermediate Similarity 0.7557 NPC24954
Intermediate Similarity 0.7557 NPC79402
Intermediate Similarity 0.7557 NPC80759
Intermediate Similarity 0.7556 NPC475215
Intermediate Similarity 0.7556 NPC108434
Intermediate Similarity 0.7552 NPC471489
Intermediate Similarity 0.7552 NPC295676
Intermediate Similarity 0.7543 NPC7393
Intermediate Similarity 0.753 NPC470925
Intermediate Similarity 0.7527 NPC70092
Intermediate Similarity 0.7514 NPC2295
Intermediate Similarity 0.7514 NPC477564
Intermediate Similarity 0.75 NPC280964
Intermediate Similarity 0.75 NPC114335
Intermediate Similarity 0.75 NPC141915
Intermediate Similarity 0.7487 NPC312531
Intermediate Similarity 0.7457 NPC26601
Intermediate Similarity 0.7456 NPC185838
Intermediate Similarity 0.7436 NPC156728
Intermediate Similarity 0.7436 NPC244606
Intermediate Similarity 0.7429 NPC203784
Intermediate Similarity 0.7429 NPC170503
Intermediate Similarity 0.7429 NPC126519
Intermediate Similarity 0.7418 NPC192135
Intermediate Similarity 0.7418 NPC477020
Intermediate Similarity 0.7418 NPC66341
Intermediate Similarity 0.7416 NPC475393
Intermediate Similarity 0.7407 NPC79213
Intermediate Similarity 0.7403 NPC69712
Intermediate Similarity 0.7403 NPC477562
Intermediate Similarity 0.7403 NPC109925
Intermediate Similarity 0.7403 NPC26240
Intermediate Similarity 0.7401 NPC27410
Intermediate Similarity 0.7401 NPC166014
Intermediate Similarity 0.7371 NPC123323
Intermediate Similarity 0.7371 NPC80129
Intermediate Similarity 0.7371 NPC187022
Intermediate Similarity 0.7371 NPC469428
Intermediate Similarity 0.7368 NPC476151
Intermediate Similarity 0.7368 NPC321505
Intermediate Similarity 0.7368 NPC476565
Intermediate Similarity 0.7368 NPC191376
Intermediate Similarity 0.7368 NPC302001
Intermediate Similarity 0.7368 NPC179825
Intermediate Similarity 0.736 NPC60186
Intermediate Similarity 0.736 NPC193777
Intermediate Similarity 0.7354 NPC22476
Intermediate Similarity 0.7354 NPC203628
Intermediate Similarity 0.7344 NPC70956
Intermediate Similarity 0.7344 NPC243834
Intermediate Similarity 0.7333 NPC268503
Intermediate Similarity 0.7333 NPC42549
Intermediate Similarity 0.7333 NPC250846
Intermediate Similarity 0.7333 NPC317272
Intermediate Similarity 0.7333 NPC256012
Intermediate Similarity 0.7333 NPC240841
Intermediate Similarity 0.733 NPC186063
Intermediate Similarity 0.7326 NPC24233
Intermediate Similarity 0.7326 NPC428
Intermediate Similarity 0.7326 NPC135538
Intermediate Similarity 0.7326 NPC147390
Intermediate Similarity 0.7326 NPC476571
Intermediate Similarity 0.7326 NPC246587
Intermediate Similarity 0.732 NPC127178
Intermediate Similarity 0.7318 NPC1229
Intermediate Similarity 0.7316 NPC223236
Intermediate Similarity 0.7316 NPC259350
Intermediate Similarity 0.7308 NPC152212
Intermediate Similarity 0.7308 NPC473185
Intermediate Similarity 0.7293 NPC471604
Intermediate Similarity 0.7283 NPC92541
Intermediate Similarity 0.7283 NPC477565
Intermediate Similarity 0.7283 NPC103379
Intermediate Similarity 0.7283 NPC219162
Intermediate Similarity 0.7282 NPC280272
Intermediate Similarity 0.7278 NPC134858
Intermediate Similarity 0.7273 NPC2413
Intermediate Similarity 0.7273 NPC5238
Intermediate Similarity 0.7273 NPC249797
Intermediate Similarity 0.7273 NPC110416
Intermediate Similarity 0.7273 NPC189266
Intermediate Similarity 0.7273 NPC54379
Intermediate Similarity 0.7273 NPC184026
Intermediate Similarity 0.7273 NPC172765
Intermediate Similarity 0.7273 NPC127674
Intermediate Similarity 0.7273 NPC295691
Intermediate Similarity 0.7273 NPC204828
Intermediate Similarity 0.7273 NPC469817
Intermediate Similarity 0.7273 NPC278799
Intermediate Similarity 0.7273 NPC207757
Intermediate Similarity 0.7273 NPC276588
Intermediate Similarity 0.7273 NPC39701
Intermediate Similarity 0.7273 NPC193949
Intermediate Similarity 0.7268 NPC473432
Intermediate Similarity 0.7264 NPC119722
Intermediate Similarity 0.7263 NPC175890
Intermediate Similarity 0.7263 NPC48490
Intermediate Similarity 0.7263 NPC82457
Intermediate Similarity 0.7263 NPC11296
Intermediate Similarity 0.7263 NPC274661
Intermediate Similarity 0.7258 NPC474507
Intermediate Similarity 0.7254 NPC161804
Intermediate Similarity 0.7243 NPC173416
Intermediate Similarity 0.7243 NPC476577
Intermediate Similarity 0.7243 NPC148709
Intermediate Similarity 0.7241 NPC97221
Intermediate Similarity 0.7241 NPC151895
Intermediate Similarity 0.7241 NPC220858
Intermediate Similarity 0.7241 NPC192768
Intermediate Similarity 0.7241 NPC88249
Intermediate Similarity 0.724 NPC230313
Intermediate Similarity 0.724 NPC256124
Intermediate Similarity 0.7236 NPC470931
Intermediate Similarity 0.7236 NPC475910
Intermediate Similarity 0.7231 NPC329747
Intermediate Similarity 0.7225 NPC191132
Intermediate Similarity 0.7225 NPC60295
Intermediate Similarity 0.7222 NPC233650
Intermediate Similarity 0.7222 NPC324144
Intermediate Similarity 0.722 NPC473179
Intermediate Similarity 0.7216 NPC100863
Intermediate Similarity 0.7216 NPC193906
Intermediate Similarity 0.7216 NPC23080
Intermediate Similarity 0.7202 NPC303214
Intermediate Similarity 0.72 NPC326316
Intermediate Similarity 0.72 NPC81733
Intermediate Similarity 0.7198 NPC210140
Intermediate Similarity 0.7198 NPC158376
Intermediate Similarity 0.7198 NPC12053
Intermediate Similarity 0.7198 NPC117188
Intermediate Similarity 0.7198 NPC205421
Intermediate Similarity 0.7198 NPC145832
Intermediate Similarity 0.7198 NPC298979
Intermediate Similarity 0.7198 NPC306555
Intermediate Similarity 0.7198 NPC474931
Intermediate Similarity 0.7198 NPC81218
Intermediate Similarity 0.7193 NPC294249
Intermediate Similarity 0.7189 NPC477558
Intermediate Similarity 0.7182 NPC78222
Intermediate Similarity 0.7182 NPC253043
Intermediate Similarity 0.7182 NPC212794
Intermediate Similarity 0.7182 NPC306843
Intermediate Similarity 0.7182 NPC136508
Intermediate Similarity 0.7182 NPC96603
Intermediate Similarity 0.7182 NPC477563
Intermediate Similarity 0.7182 NPC196447
Intermediate Similarity 0.7182 NPC13504
Intermediate Similarity 0.7181 NPC275132
Intermediate Similarity 0.7178 NPC48353
Intermediate Similarity 0.7177 NPC202503
Intermediate Similarity 0.7172 NPC87714
Intermediate Similarity 0.7168 NPC253883
Intermediate Similarity 0.7168 NPC95075
Intermediate Similarity 0.7168 NPC90844
Intermediate Similarity 0.7168 NPC144863

Drug Structure

External Identifiers

TTD   DIB015580
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  458.29
ALogP  0.398
MLogP  4.32
XLogP  7.785
HDA  2
HBD  2
Rotatable Bonds  14
TPSA  44.73
RO5 Violation  1