Drug ID:   | NPD6882 |
Drug Name:   | Prednicarbate |
Molecular Formula:   | C27H36O8 |
Canonical SMILES:   | CCOC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C)C(=O)COC(=O)CC |
Standard InCHI:   | InChI=1S/C27H36O8/c1-5-22(31)34-15-21(30)27(35-24(32)33-6-2)12-10-19-18-8-7-16-13-17(28)9-11-25(16,3)23(18)20(29)14-26(19,27)4/h9,11,13,18-20,23,29H,5-8,10,12,14-15H2,1-4H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1 |
Standard InCHIKey:   | FNPXMHRZILFCKX-KAJVQRHHSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD; ChEMBL; IUPHAR/BPS |
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 |
---|---|---|
High Similarity | 0.9515 | NPC44063 |
High Similarity | 0.9333 | NPC2766 |
High Similarity | 0.8932 | NPC144956 |
High Similarity | 0.8829 | NPC270958 |
High Similarity | 0.8774 | NPC235889 |
High Similarity | 0.875 | NPC471854 |
High Similarity | 0.8738 | NPC18509 |
High Similarity | 0.8727 | NPC475524 |
High Similarity | 0.8727 | NPC100267 |
High Similarity | 0.8727 | NPC71348 |
High Similarity | 0.8692 | NPC181265 |
High Similarity | 0.8673 | NPC257457 |
High Similarity | 0.8673 | NPC118638 |
High Similarity | 0.8673 | NPC311554 |
High Similarity | 0.8649 | NPC202889 |
High Similarity | 0.8636 | NPC43775 |
High Similarity | 0.8598 | NPC137657 |
High Similarity | 0.8585 | NPC22388 |
High Similarity | 0.8559 | NPC170487 |
High Similarity | 0.8545 | NPC197428 |
High Similarity | 0.8534 | NPC313528 |
High Similarity | 0.8519 | NPC196528 |
Intermediate Similarity | 0.8496 | NPC148458 |
Intermediate Similarity | 0.8468 | NPC118860 |
Intermediate Similarity | 0.8468 | NPC231589 |
Intermediate Similarity | 0.8468 | NPC214797 |
Intermediate Similarity | 0.8455 | NPC258543 |
Intermediate Similarity | 0.8455 | NPC304495 |
Intermediate Similarity | 0.8455 | NPC241927 |
Intermediate Similarity | 0.844 | NPC475294 |
Intermediate Similarity | 0.843 | NPC471855 |
Intermediate Similarity | 0.8426 | NPC472228 |
Intermediate Similarity | 0.8426 | NPC29705 |
Intermediate Similarity | 0.8426 | NPC472227 |
Intermediate Similarity | 0.8421 | NPC239273 |
Intermediate Similarity | 0.8411 | NPC308351 |
Intermediate Similarity | 0.8411 | NPC473928 |
Intermediate Similarity | 0.8411 | NPC271266 |
Intermediate Similarity | 0.8393 | NPC264634 |
Intermediate Similarity | 0.8393 | NPC280782 |
Intermediate Similarity | 0.8393 | NPC147180 |
Intermediate Similarity | 0.8393 | NPC221144 |
Intermediate Similarity | 0.8365 | NPC477437 |
Intermediate Similarity | 0.8365 | NPC477438 |
Intermediate Similarity | 0.8364 | NPC94529 |
Intermediate Similarity | 0.8364 | NPC469844 |
Intermediate Similarity | 0.8333 | NPC311612 |
Intermediate Similarity | 0.8333 | NPC152199 |
Intermediate Similarity | 0.8333 | NPC235539 |
Intermediate Similarity | 0.8333 | NPC134869 |
Intermediate Similarity | 0.8319 | NPC962 |
Intermediate Similarity | 0.8319 | NPC194100 |
Intermediate Similarity | 0.8319 | NPC250109 |
Intermediate Similarity | 0.8319 | NPC52634 |
Intermediate Similarity | 0.8319 | NPC255017 |
Intermediate Similarity | 0.8318 | NPC224720 |
Intermediate Similarity | 0.8318 | NPC476223 |
Intermediate Similarity | 0.8318 | NPC476240 |
Intermediate Similarity | 0.8302 | NPC114274 |
Intermediate Similarity | 0.8302 | NPC477854 |
Intermediate Similarity | 0.8288 | NPC214644 |
Intermediate Similarity | 0.8288 | NPC41405 |
Intermediate Similarity | 0.8286 | NPC305483 |
Intermediate Similarity | 0.8286 | NPC96859 |
Intermediate Similarity | 0.8286 | NPC328162 |
Intermediate Similarity | 0.8276 | NPC319570 |
Intermediate Similarity | 0.8273 | NPC185 |
Intermediate Similarity | 0.8273 | NPC220974 |
Intermediate Similarity | 0.8269 | NPC477439 |
Intermediate Similarity | 0.8264 | NPC471407 |
Intermediate Similarity | 0.8252 | NPC185936 |
Intermediate Similarity | 0.8252 | NPC168027 |
Intermediate Similarity | 0.8246 | NPC18547 |
Intermediate Similarity | 0.8246 | NPC471398 |
Intermediate Similarity | 0.8246 | NPC474906 |
Intermediate Similarity | 0.8241 | NPC119601 |
Intermediate Similarity | 0.8241 | NPC136289 |
Intermediate Similarity | 0.8241 | NPC87351 |
Intermediate Similarity | 0.8241 | NPC308726 |
Intermediate Similarity | 0.8235 | NPC473255 |
Intermediate Similarity | 0.8235 | NPC475194 |
Intermediate Similarity | 0.8224 | NPC476274 |
Intermediate Similarity | 0.822 | NPC222688 |
Intermediate Similarity | 0.8214 | NPC163314 |
Intermediate Similarity | 0.8214 | NPC235077 |
Intermediate Similarity | 0.8208 | NPC108078 |
Intermediate Similarity | 0.8205 | NPC471406 |
Intermediate Similarity | 0.8205 | NPC241192 |
Intermediate Similarity | 0.8205 | NPC109973 |
Intermediate Similarity | 0.8198 | NPC470269 |
Intermediate Similarity | 0.819 | NPC469599 |
Intermediate Similarity | 0.819 | NPC317586 |
Intermediate Similarity | 0.819 | NPC297179 |
Intermediate Similarity | 0.819 | NPC470016 |
Intermediate Similarity | 0.8182 | NPC231530 |
Intermediate Similarity | 0.8182 | NPC473888 |
Intermediate Similarity | 0.8182 | NPC278628 |
Intermediate Similarity | 0.8182 | NPC265127 |
Intermediate Similarity | 0.8182 | NPC470267 |
Intermediate Similarity | 0.8182 | NPC475571 |
Intermediate Similarity | 0.8174 | NPC266728 |
Intermediate Similarity | 0.8174 | NPC49492 |
Intermediate Similarity | 0.8173 | NPC109414 |
Intermediate Similarity | 0.8173 | NPC477435 |
Intermediate Similarity | 0.8173 | NPC470376 |
Intermediate Similarity | 0.8173 | NPC470375 |
Intermediate Similarity | 0.8173 | NPC477436 |
Intermediate Similarity | 0.8165 | NPC70967 |
Intermediate Similarity | 0.8165 | NPC33973 |
Intermediate Similarity | 0.8165 | NPC140723 |
Intermediate Similarity | 0.8158 | NPC472926 |
Intermediate Similarity | 0.8158 | NPC178981 |
Intermediate Similarity | 0.8158 | NPC471627 |
Intermediate Similarity | 0.8158 | NPC260665 |
Intermediate Similarity | 0.8158 | NPC471173 |
Intermediate Similarity | 0.8148 | NPC302537 |
Intermediate Similarity | 0.8148 | NPC477051 |
Intermediate Similarity | 0.8148 | NPC163372 |
Intermediate Similarity | 0.8148 | NPC477053 |
Intermediate Similarity | 0.8148 | NPC477052 |
Intermediate Similarity | 0.8148 | NPC81530 |
Intermediate Similarity | 0.8136 | NPC42675 |
Intermediate Similarity | 0.812 | NPC61520 |
Intermediate Similarity | 0.812 | NPC161065 |
Intermediate Similarity | 0.812 | NPC472933 |
Intermediate Similarity | 0.8113 | NPC477853 |
Intermediate Similarity | 0.8113 | NPC49371 |
Intermediate Similarity | 0.8099 | NPC473265 |
Intermediate Similarity | 0.8099 | NPC470882 |
Intermediate Similarity | 0.8095 | NPC166906 |
Intermediate Similarity | 0.8095 | NPC111015 |
Intermediate Similarity | 0.8091 | NPC470251 |
Intermediate Similarity | 0.8091 | NPC135854 |
Intermediate Similarity | 0.8091 | NPC2436 |
Intermediate Similarity | 0.8091 | NPC216245 |
Intermediate Similarity | 0.8087 | NPC473798 |
Intermediate Similarity | 0.8083 | NPC241456 |
Intermediate Similarity | 0.8083 | NPC32868 |
Intermediate Similarity | 0.8077 | NPC154101 |
Intermediate Similarity | 0.8073 | NPC477054 |
Intermediate Similarity | 0.807 | NPC11252 |
Intermediate Similarity | 0.807 | NPC234042 |
Intermediate Similarity | 0.807 | NPC289312 |
Intermediate Similarity | 0.807 | NPC152117 |
Intermediate Similarity | 0.807 | NPC90769 |
Intermediate Similarity | 0.8067 | NPC28532 |
Intermediate Similarity | 0.8058 | NPC474704 |
Intermediate Similarity | 0.8058 | NPC310010 |
Intermediate Similarity | 0.8058 | NPC475921 |
Intermediate Similarity | 0.8058 | NPC305039 |
Intermediate Similarity | 0.8058 | NPC326627 |
Intermediate Similarity | 0.8056 | NPC83709 |
Intermediate Similarity | 0.8056 | NPC472972 |
Intermediate Similarity | 0.8056 | NPC474720 |
Intermediate Similarity | 0.8056 | NPC15390 |
Intermediate Similarity | 0.8053 | NPC5284 |
Intermediate Similarity | 0.8051 | NPC107338 |
Intermediate Similarity | 0.8051 | NPC109607 |
Intermediate Similarity | 0.8049 | NPC213634 |
Intermediate Similarity | 0.8037 | NPC57416 |
Intermediate Similarity | 0.8037 | NPC43747 |
Intermediate Similarity | 0.8037 | NPC107243 |
Intermediate Similarity | 0.8037 | NPC473456 |
Intermediate Similarity | 0.8036 | NPC472825 |
Intermediate Similarity | 0.8036 | NPC295244 |
Intermediate Similarity | 0.8036 | NPC177064 |
Intermediate Similarity | 0.8036 | NPC258323 |
Intermediate Similarity | 0.8034 | NPC329736 |
Intermediate Similarity | 0.8033 | NPC168899 |
Intermediate Similarity | 0.8033 | NPC293623 |
Intermediate Similarity | 0.8033 | NPC311534 |
Intermediate Similarity | 0.8033 | NPC69273 |
Intermediate Similarity | 0.8019 | NPC184848 |
Intermediate Similarity | 0.8019 | NPC69548 |
Intermediate Similarity | 0.8018 | NPC60681 |
Intermediate Similarity | 0.8018 | NPC50535 |
Intermediate Similarity | 0.8018 | NPC257353 |
Intermediate Similarity | 0.8018 | NPC470309 |
Intermediate Similarity | 0.8017 | NPC328374 |
Intermediate Similarity | 0.8017 | NPC302471 |
Intermediate Similarity | 0.8017 | NPC174367 |
Intermediate Similarity | 0.8017 | NPC96312 |
Intermediate Similarity | 0.8017 | NPC251236 |
Intermediate Similarity | 0.8017 | NPC47113 |
Intermediate Similarity | 0.8017 | NPC298278 |
Intermediate Similarity | 0.8017 | NPC40632 |
Intermediate Similarity | 0.8017 | NPC93368 |
Intermediate Similarity | 0.8 | NPC473979 |
Intermediate Similarity | 0.8 | NPC117185 |
Intermediate Similarity | 0.8 | NPC472929 |
Intermediate Similarity | 0.8 | NPC236390 |
Intermediate Similarity | 0.8 | NPC73300 |
Intermediate Similarity | 0.8 | NPC264048 |
Intermediate Similarity | 0.8 | NPC112009 |
Intermediate Similarity | 0.8 | NPC79117 |
Intermediate Similarity | 0.8 | NPC179208 |
Intermediate Similarity | 0.8 | NPC198539 |
Intermediate Similarity | 0.8 | NPC238005 |
Intermediate Similarity | 0.8 | NPC470839 |
Intermediate Similarity | 0.8 | NPC108721 |
TTD   | DAP001189 |
DrugBank   | DB01130 |
ChEMBL   | CHEMBL1200386 |
IUPHAR/BPS   | 7605 |
PharmaGKB   | PA164749394 |
KEGG Drug   | |
PubChem CID   | 6714002 |
ChEBI   | 135791 |
CAS Number   | 73771-04-7 |
Molecular Weight   | 488.24 |
ALogP   | 0.8703 |
MLogP   | 3.55 |
XLogP   | 2.919 |
HDA   | 8 |
HBD   | 1 |
Rotatable Bonds   | 14 |
TPSA   | 116.2 |
RO5 Violation   | 0 |