Drug ID:   | NPD2624 |
Drug Name:   | Selodenoson |
Molecular Formula:   | C17H24N6O4 |
Canonical SMILES:   | CCN=C([C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CCCC1)O |
Standard InCHI:   | InChI=1S/C17H24N6O4/c1-2-18-16(26)13-11(24)12(25)17(27-13)23-8-21-10-14(19-7-20-15(10)23)22-9-5-3-4-6-9/h7-9,11-13,17,24-25H,2-6H2,1H3,(H,18,26)(H,19,20,22)/t11-,12+,13-,17+/m0/s1 |
Standard InCHIKey:   | GWVQGVCXFNYGFP-PFHKOEEOSA-N |
Max Developmental Stage:   | Phase 2 |
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 |
---|---|---|
High Similarity | 0.9301 | NPC189068 |
High Similarity | 0.9236 | NPC309832 |
High Similarity | 0.9236 | NPC219313 |
High Similarity | 0.9231 | NPC107374 |
High Similarity | 0.9231 | NPC21448 |
High Similarity | 0.9231 | NPC156461 |
High Similarity | 0.9195 | NPC239737 |
High Similarity | 0.9167 | NPC164665 |
High Similarity | 0.9103 | NPC269827 |
High Similarity | 0.9091 | NPC229974 |
High Similarity | 0.9007 | NPC195140 |
High Similarity | 0.8951 | NPC317821 |
High Similarity | 0.8951 | NPC161659 |
High Similarity | 0.8951 | NPC209525 |
High Similarity | 0.8859 | NPC85689 |
High Similarity | 0.8859 | NPC185991 |
High Similarity | 0.8859 | NPC211025 |
High Similarity | 0.8828 | NPC314152 |
High Similarity | 0.8808 | NPC174802 |
High Similarity | 0.88 | NPC321814 |
High Similarity | 0.88 | NPC472816 |
High Similarity | 0.8742 | NPC130586 |
High Similarity | 0.8742 | NPC212551 |
High Similarity | 0.8742 | NPC302778 |
High Similarity | 0.8742 | NPC164952 |
High Similarity | 0.8693 | NPC226245 |
High Similarity | 0.8675 | NPC207633 |
High Similarity | 0.8658 | NPC121222 |
High Similarity | 0.8627 | NPC224076 |
High Similarity | 0.8609 | NPC161224 |
High Similarity | 0.8571 | NPC316618 |
High Similarity | 0.8553 | NPC328479 |
High Similarity | 0.8535 | NPC323091 |
Intermediate Similarity | 0.8493 | NPC129756 |
Intermediate Similarity | 0.8477 | NPC136349 |
Intermediate Similarity | 0.8452 | NPC311197 |
Intermediate Similarity | 0.8452 | NPC313754 |
Intermediate Similarity | 0.8452 | NPC54320 |
Intermediate Similarity | 0.8421 | NPC150853 |
Intermediate Similarity | 0.8405 | NPC189261 |
Intermediate Similarity | 0.8387 | NPC52238 |
Intermediate Similarity | 0.8344 | NPC313897 |
Intermediate Similarity | 0.8313 | NPC325906 |
Intermediate Similarity | 0.8288 | NPC320818 |
Intermediate Similarity | 0.825 | NPC324484 |
Intermediate Similarity | 0.8232 | NPC326529 |
Intermediate Similarity | 0.821 | NPC290959 |
Intermediate Similarity | 0.8182 | NPC319100 |
Intermediate Similarity | 0.8182 | NPC324198 |
Intermediate Similarity | 0.8176 | NPC33996 |
Intermediate Similarity | 0.8101 | NPC93365 |
Intermediate Similarity | 0.8098 | NPC326082 |
Intermediate Similarity | 0.8086 | NPC261595 |
Intermediate Similarity | 0.8037 | NPC324033 |
Intermediate Similarity | 0.8037 | NPC321458 |
Intermediate Similarity | 0.7919 | NPC61198 |
Intermediate Similarity | 0.7861 | NPC313514 |
Intermediate Similarity | 0.7852 | NPC262926 |
Intermediate Similarity | 0.7736 | NPC321052 |
Intermediate Similarity | 0.7727 | NPC74306 |
Intermediate Similarity | 0.7727 | NPC315642 |
Intermediate Similarity | 0.7667 | NPC319221 |
Intermediate Similarity | 0.7628 | NPC89147 |
Intermediate Similarity | 0.7628 | NPC274384 |
Intermediate Similarity | 0.76 | NPC324009 |
Intermediate Similarity | 0.7586 | NPC24589 |
Intermediate Similarity | 0.7582 | NPC30326 |
Intermediate Similarity | 0.758 | NPC64705 |
Intermediate Similarity | 0.758 | NPC232408 |
Intermediate Similarity | 0.7564 | NPC251233 |
Intermediate Similarity | 0.7564 | NPC211820 |
Intermediate Similarity | 0.7557 | NPC282458 |
Intermediate Similarity | 0.7557 | NPC78941 |
Intermediate Similarity | 0.7548 | NPC186619 |
Intermediate Similarity | 0.7516 | NPC177169 |
Intermediate Similarity | 0.7516 | NPC317746 |
Intermediate Similarity | 0.7452 | NPC318590 |
Intermediate Similarity | 0.7365 | NPC14590 |
Intermediate Similarity | 0.7178 | NPC326694 |
Intermediate Similarity | 0.7093 | NPC125659 |
Intermediate Similarity | 0.7093 | NPC168702 |
Intermediate Similarity | 0.7074 | NPC276373 |
Intermediate Similarity | 0.7037 | NPC5802 |
Intermediate Similarity | 0.7035 | NPC33382 |
Intermediate Similarity | 0.7 | NPC157821 |
Remote Similarity | 0.6923 | NPC57279 |
Remote Similarity | 0.6914 | NPC222174 |
Remote Similarity | 0.6913 | NPC327579 |
Remote Similarity | 0.6903 | NPC104011 |
Remote Similarity | 0.6802 | NPC321393 |
Remote Similarity | 0.6795 | NPC246193 |
Remote Similarity | 0.6766 | NPC250178 |
Remote Similarity | 0.6683 | NPC160666 |
Remote Similarity | 0.6597 | NPC476564 |
Remote Similarity | 0.6581 | NPC248007 |
Remote Similarity | 0.6538 | NPC107160 |
Remote Similarity | 0.6524 | NPC21461 |
Remote Similarity | 0.6503 | NPC174114 |
Remote Similarity | 0.6503 | NPC87981 |
Remote Similarity | 0.648 | NPC103388 |
Remote Similarity | 0.6478 | NPC287876 |
Remote Similarity | 0.6415 | NPC14330 |
Remote Similarity | 0.6387 | NPC139776 |
Remote Similarity | 0.6376 | NPC4837 |
Remote Similarity | 0.6376 | NPC312187 |
Remote Similarity | 0.6355 | NPC158055 |
Remote Similarity | 0.6322 | NPC472834 |
Remote Similarity | 0.6304 | NPC164845 |
Remote Similarity | 0.6259 | NPC18335 |
Remote Similarity | 0.6213 | NPC217656 |
Remote Similarity | 0.6144 | NPC313547 |
Remote Similarity | 0.6129 | NPC68938 |
Remote Similarity | 0.6069 | NPC244700 |
Remote Similarity | 0.6 | NPC109322 |
Remote Similarity | 0.5988 | NPC89139 |
Remote Similarity | 0.5976 | NPC296437 |
Remote Similarity | 0.5955 | NPC60537 |
Remote Similarity | 0.5941 | NPC470266 |
Remote Similarity | 0.5938 | NPC5707 |
Remote Similarity | 0.5929 | NPC324815 |
Remote Similarity | 0.589 | NPC180462 |
Remote Similarity | 0.5882 | NPC210947 |
Remote Similarity | 0.5872 | NPC476528 |
Remote Similarity | 0.5872 | NPC476433 |
Remote Similarity | 0.5864 | NPC473585 |
Remote Similarity | 0.5859 | NPC314774 |
Remote Similarity | 0.5859 | NPC315126 |
Remote Similarity | 0.5838 | NPC476522 |
Remote Similarity | 0.5838 | NPC476520 |
Remote Similarity | 0.5838 | NPC474986 |
Remote Similarity | 0.5838 | NPC476013 |
Remote Similarity | 0.5833 | NPC472833 |
Remote Similarity | 0.5829 | NPC476408 |
Remote Similarity | 0.5825 | NPC265111 |
Remote Similarity | 0.5823 | NPC189314 |
Remote Similarity | 0.5805 | NPC476521 |
Remote Similarity | 0.58 | NPC476561 |
Remote Similarity | 0.5771 | NPC327477 |
Remote Similarity | 0.5767 | NPC180493 |
Remote Similarity | 0.5738 | NPC472832 |
Remote Similarity | 0.5738 | NPC18308 |
Remote Similarity | 0.5724 | NPC476099 |
Remote Similarity | 0.5702 | NPC150447 |
Remote Similarity | 0.5686 | NPC119133 |
Remote Similarity | 0.5669 | NPC41958 |
Remote Similarity | 0.5667 | NPC293163 |
Remote Similarity | 0.5658 | NPC59314 |
Remote Similarity | 0.5647 | NPC126634 |
Remote Similarity | 0.5625 | NPC174020 |
Remote Similarity | 0.5607 | NPC470139 |
TTD   | DIB011198 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 376.19 |
ALogP   | -2.7631 |
MLogP   | 2.23 |
XLogP   | 0.628 |
HDA   | 10 |
HBD   | 4 |
Rotatable Bonds   | 9 |
TPSA   | 137.91 |
RO5 Violation   | 0 |