Drug ID:   | NPD5049 |
Drug Name:   | Elafibranor |
Molecular Formula:   | C22H24O4S |
Canonical SMILES:   | CSc1ccc(cc1)C(=O)/C=C/c1cc(C)c(c(c1)C)OC(C(=O)O)(C)C |
Standard InCHI:   | InChI=1S/C22H24O4S/c1-14-12-16(13-15(2)20(14)26-22(3,4)21(24)25)6-11-19(23)17-7-9-18(27-5)10-8-17/h6-13H,1-5H3,(H,24,25)/b11-6+ |
Standard InCHIKey:   | AFLFKFHDSCQHOL-IZZDOVSWSA-N |
Max Developmental Stage:   | Phase 3 |
Max Developmental Stage Source:   | ChEMBL |
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.
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 | 0.8028 | NPC89630 |
Intermediate Similarity | 0.7945 | NPC86774 |
Intermediate Similarity | 0.7945 | NPC327457 |
Intermediate Similarity | 0.7877 | NPC473019 |
Intermediate Similarity | 0.7843 | NPC184053 |
Intermediate Similarity | 0.7808 | NPC217431 |
Intermediate Similarity | 0.774 | NPC37512 |
Intermediate Similarity | 0.774 | NPC121104 |
Intermediate Similarity | 0.7712 | NPC473988 |
Intermediate Similarity | 0.7703 | NPC109778 |
Intermediate Similarity | 0.7687 | NPC2401 |
Intermediate Similarity | 0.7667 | NPC202743 |
Intermediate Similarity | 0.7658 | NPC129650 |
Intermediate Similarity | 0.7643 | NPC469953 |
Intermediate Similarity | 0.7619 | NPC473993 |
Intermediate Similarity | 0.761 | NPC211811 |
Intermediate Similarity | 0.7606 | NPC264976 |
Intermediate Similarity | 0.76 | NPC173034 |
Intermediate Similarity | 0.7589 | NPC263754 |
Intermediate Similarity | 0.7589 | NPC183154 |
Intermediate Similarity | 0.7586 | NPC14141 |
Intermediate Similarity | 0.7586 | NPC473942 |
Intermediate Similarity | 0.7584 | NPC282230 |
Intermediate Similarity | 0.7584 | NPC183348 |
Intermediate Similarity | 0.7571 | NPC51345 |
Intermediate Similarity | 0.755 | NPC287533 |
Intermediate Similarity | 0.7547 | NPC180477 |
Intermediate Similarity | 0.7547 | NPC14875 |
Intermediate Similarity | 0.7533 | NPC470977 |
Intermediate Similarity | 0.7533 | NPC196979 |
Intermediate Similarity | 0.7533 | NPC15083 |
Intermediate Similarity | 0.7533 | NPC470976 |
Intermediate Similarity | 0.7532 | NPC284409 |
Intermediate Similarity | 0.7532 | NPC221046 |
Intermediate Similarity | 0.7532 | NPC474044 |
Intermediate Similarity | 0.7517 | NPC66246 |
Intermediate Similarity | 0.7517 | NPC238309 |
Intermediate Similarity | 0.7517 | NPC170546 |
Intermediate Similarity | 0.7516 | NPC472840 |
Intermediate Similarity | 0.7516 | NPC36181 |
Intermediate Similarity | 0.75 | NPC235239 |
Intermediate Similarity | 0.7484 | NPC57470 |
Intermediate Similarity | 0.7484 | NPC71903 |
Intermediate Similarity | 0.7483 | NPC165556 |
Intermediate Similarity | 0.7483 | NPC302844 |
Intermediate Similarity | 0.7483 | NPC88403 |
Intermediate Similarity | 0.7469 | NPC295650 |
Intermediate Similarity | 0.7468 | NPC471069 |
Intermediate Similarity | 0.7468 | NPC471068 |
Intermediate Similarity | 0.7468 | NPC87609 |
Intermediate Similarity | 0.7468 | NPC470296 |
Intermediate Similarity | 0.7468 | NPC196459 |
Intermediate Similarity | 0.7468 | NPC112791 |
Intermediate Similarity | 0.7468 | NPC94794 |
Intermediate Similarity | 0.7468 | NPC188632 |
Intermediate Similarity | 0.7466 | NPC93730 |
Intermediate Similarity | 0.7455 | NPC161650 |
Intermediate Similarity | 0.7455 | NPC210048 |
Intermediate Similarity | 0.7453 | NPC477941 |
Intermediate Similarity | 0.7453 | NPC103116 |
Intermediate Similarity | 0.7452 | NPC64908 |
Intermediate Similarity | 0.7452 | NPC205006 |
Intermediate Similarity | 0.7452 | NPC103362 |
Intermediate Similarity | 0.7452 | NPC147688 |
Intermediate Similarity | 0.7452 | NPC156590 |
Intermediate Similarity | 0.7452 | NPC118840 |
Intermediate Similarity | 0.745 | NPC125887 |
Intermediate Similarity | 0.745 | NPC2596 |
Intermediate Similarity | 0.7439 | NPC469934 |
Intermediate Similarity | 0.7439 | NPC268008 |
Intermediate Similarity | 0.7439 | NPC279218 |
Intermediate Similarity | 0.7439 | NPC108937 |
Intermediate Similarity | 0.7438 | NPC472918 |
Intermediate Similarity | 0.7438 | NPC140120 |
Intermediate Similarity | 0.7438 | NPC249942 |
Intermediate Similarity | 0.7438 | NPC297886 |
Intermediate Similarity | 0.7436 | NPC310370 |
Intermediate Similarity | 0.7436 | NPC170812 |
Intermediate Similarity | 0.7436 | NPC183642 |
Intermediate Similarity | 0.7423 | NPC60211 |
Intermediate Similarity | 0.7423 | NPC171651 |
Intermediate Similarity | 0.7423 | NPC210597 |
Intermediate Similarity | 0.7423 | NPC243171 |
Intermediate Similarity | 0.7423 | NPC35567 |
Intermediate Similarity | 0.7421 | NPC469935 |
Intermediate Similarity | 0.7421 | NPC178627 |
Intermediate Similarity | 0.7421 | NPC1886 |
Intermediate Similarity | 0.7421 | NPC196137 |
Intermediate Similarity | 0.7419 | NPC471070 |
Intermediate Similarity | 0.7419 | NPC62735 |
Intermediate Similarity | 0.7419 | NPC332594 |
Intermediate Similarity | 0.7419 | NPC471072 |
Intermediate Similarity | 0.7419 | NPC471071 |
Intermediate Similarity | 0.741 | NPC264932 |
Intermediate Similarity | 0.741 | NPC311574 |
Intermediate Similarity | 0.7407 | NPC105136 |
Intermediate Similarity | 0.7407 | NPC151973 |
Intermediate Similarity | 0.7407 | NPC472421 |
Intermediate Similarity | 0.7405 | NPC11561 |
Intermediate Similarity | 0.7405 | NPC226636 |
Intermediate Similarity | 0.7405 | NPC144499 |
Intermediate Similarity | 0.7405 | NPC200694 |
Intermediate Similarity | 0.7403 | NPC163029 |
Intermediate Similarity | 0.7403 | NPC104796 |
Intermediate Similarity | 0.7403 | NPC71638 |
Intermediate Similarity | 0.7403 | NPC64230 |
Intermediate Similarity | 0.7396 | NPC259007 |
Intermediate Similarity | 0.7396 | NPC329215 |
Intermediate Similarity | 0.7396 | NPC204088 |
Intermediate Similarity | 0.7394 | NPC469936 |
Intermediate Similarity | 0.7394 | NPC474738 |
Intermediate Similarity | 0.7394 | NPC475797 |
Intermediate Similarity | 0.7394 | NPC19860 |
Intermediate Similarity | 0.7394 | NPC109967 |
Intermediate Similarity | 0.7394 | NPC78554 |
Intermediate Similarity | 0.7394 | NPC321372 |
Intermediate Similarity | 0.7394 | NPC129053 |
Intermediate Similarity | 0.7394 | NPC474609 |
Intermediate Similarity | 0.7391 | NPC469933 |
Intermediate Similarity | 0.7391 | NPC208303 |
Intermediate Similarity | 0.7391 | NPC161864 |
Intermediate Similarity | 0.7389 | NPC270883 |
Intermediate Similarity | 0.7389 | NPC172986 |
Intermediate Similarity | 0.7389 | NPC475680 |
Intermediate Similarity | 0.7389 | NPC69769 |
Intermediate Similarity | 0.7389 | NPC150522 |
Intermediate Similarity | 0.7389 | NPC305355 |
Intermediate Similarity | 0.7389 | NPC261227 |
Intermediate Similarity | 0.7386 | NPC473054 |
Intermediate Similarity | 0.7386 | NPC27643 |
Intermediate Similarity | 0.7378 | NPC209760 |
Intermediate Similarity | 0.7378 | NPC180301 |
Intermediate Similarity | 0.7378 | NPC293286 |
Intermediate Similarity | 0.7378 | NPC189130 |
Intermediate Similarity | 0.7378 | NPC475895 |
Intermediate Similarity | 0.7378 | NPC248793 |
Intermediate Similarity | 0.7378 | NPC88983 |
Intermediate Similarity | 0.7378 | NPC100134 |
Intermediate Similarity | 0.7378 | NPC236756 |
Intermediate Similarity | 0.7378 | NPC311579 |
Intermediate Similarity | 0.7375 | NPC220418 |
Intermediate Similarity | 0.7375 | NPC5820 |
Intermediate Similarity | 0.7375 | NPC153758 |
Intermediate Similarity | 0.7375 | NPC124729 |
Intermediate Similarity | 0.7375 | NPC306488 |
Intermediate Similarity | 0.7375 | NPC178343 |
Intermediate Similarity | 0.7375 | NPC181388 |
Intermediate Similarity | 0.7375 | NPC286038 |
Intermediate Similarity | 0.7375 | NPC470322 |
Intermediate Similarity | 0.7375 | NPC229190 |
Intermediate Similarity | 0.7375 | NPC154217 |
Intermediate Similarity | 0.7365 | NPC172687 |
Intermediate Similarity | 0.7362 | NPC263384 |
Intermediate Similarity | 0.7362 | NPC474744 |
Intermediate Similarity | 0.7362 | NPC254412 |
Intermediate Similarity | 0.7362 | NPC319910 |
Intermediate Similarity | 0.7362 | NPC472420 |
Intermediate Similarity | 0.7362 | NPC472580 |
Intermediate Similarity | 0.7362 | NPC472423 |
Intermediate Similarity | 0.7362 | NPC262039 |
Intermediate Similarity | 0.7362 | NPC474772 |
Intermediate Similarity | 0.7362 | NPC471676 |
Intermediate Similarity | 0.7362 | NPC244577 |
Intermediate Similarity | 0.7362 | NPC262038 |
Intermediate Similarity | 0.7362 | NPC472422 |
Intermediate Similarity | 0.7362 | NPC278476 |
Intermediate Similarity | 0.7362 | NPC471229 |
Intermediate Similarity | 0.7358 | NPC9117 |
Intermediate Similarity | 0.7358 | NPC470216 |
Intermediate Similarity | 0.7358 | NPC190637 |
Intermediate Similarity | 0.7358 | NPC295696 |
Intermediate Similarity | 0.7358 | NPC106985 |
Intermediate Similarity | 0.7358 | NPC166138 |
Intermediate Similarity | 0.7358 | NPC293053 |
Intermediate Similarity | 0.7358 | NPC38219 |
Intermediate Similarity | 0.7358 | NPC24821 |
Intermediate Similarity | 0.7358 | NPC212932 |
Intermediate Similarity | 0.7358 | NPC158874 |
Intermediate Similarity | 0.7358 | NPC113397 |
Intermediate Similarity | 0.7358 | NPC213900 |
Intermediate Similarity | 0.7358 | NPC18585 |
Intermediate Similarity | 0.7355 | NPC477534 |
Intermediate Similarity | 0.7353 | NPC323137 |
Intermediate Similarity | 0.7351 | NPC245395 |
Intermediate Similarity | 0.7351 | NPC2989 |
Intermediate Similarity | 0.7351 | NPC475102 |
Intermediate Similarity | 0.7347 | NPC472888 |
Intermediate Similarity | 0.7346 | NPC164205 |
Intermediate Similarity | 0.7346 | NPC469932 |
Intermediate Similarity | 0.7346 | NPC472628 |
Intermediate Similarity | 0.7346 | NPC104236 |
Intermediate Similarity | 0.7343 | NPC469954 |
Intermediate Similarity | 0.7342 | NPC110969 |
Intermediate Similarity | 0.7342 | NPC229916 |
Intermediate Similarity | 0.7338 | NPC22644 |
Intermediate Similarity | 0.7333 | NPC217706 |
Intermediate Similarity | 0.7333 | NPC207809 |
Intermediate Similarity | 0.7333 | NPC478161 |
Intermediate Similarity | 0.7333 | NPC259710 |
Intermediate Similarity | 0.7333 | NPC476169 |
Molecular Weight   | 384.14 |
ALogP   | 2.2744 |
MLogP   | 3.33 |
XLogP   | 5.389 |
HDA   | 3 |
HBD   | 1 |
Rotatable Bonds   | 13 |
TPSA   | 88.9 |
RO5 Violation   | 1 |