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 |
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 | 0.8202 | 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 |
TTD   | DIB015580 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
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 |