Drug ID:   | NPD7523 |
Drug Name:   | Thymopentin |
Molecular Formula:   | C30H49N9O9 |
Canonical SMILES:   | NCCCC[C@@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=O)O)Cc1ccc(cc1)O)O)C(C)C)O)CC(=O)O)O)N=C([C@H](CCCNC(=N)N)N)O |
Standard InCHI:   | InChI=1S/C30H49N9O9/c1-16(2)24(28(46)38-22(29(47)48)14-17-8-10-18(40)11-9-17)39-27(45)21(15-23(41)42)37-26(44)20(7-3-4-12-31)36-25(43)19(32)6-5-13-35-30(33)34/h8-11,16,19-22,24,40H,3-7,12-15,31-32H2,1-2H3,(H,36,43)(H,37,44)(H,38,46)(H,39,45)(H,41,42)(H,47,48)(H4,33,34,35)/t19-,20-,21-,22-,24-/m0/s1 |
Standard InCHIKey:   | PSWFFKRAVBDQEG-YGQNSOCVSA-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 |
---|---|---|
High Similarity | 0.9078 | NPC48202 |
High Similarity | 0.8662 | NPC274198 |
High Similarity | 0.8662 | NPC198254 |
High Similarity | 0.8544 | NPC276506 |
High Similarity | 0.8531 | NPC267237 |
Intermediate Similarity | 0.8447 | NPC196243 |
Intermediate Similarity | 0.8431 | NPC473580 |
Intermediate Similarity | 0.8392 | NPC326966 |
Intermediate Similarity | 0.8365 | NPC129486 |
Intermediate Similarity | 0.8333 | NPC61332 |
Intermediate Similarity | 0.8333 | NPC469243 |
Intermediate Similarity | 0.8333 | NPC240130 |
Intermediate Similarity | 0.8299 | NPC214988 |
Intermediate Similarity | 0.8255 | NPC326241 |
Intermediate Similarity | 0.8252 | NPC325651 |
Intermediate Similarity | 0.8217 | NPC475544 |
Intermediate Similarity | 0.821 | NPC475532 |
Intermediate Similarity | 0.8182 | NPC153554 |
Intermediate Similarity | 0.8176 | NPC223207 |
Intermediate Similarity | 0.816 | NPC165285 |
Intermediate Similarity | 0.8143 | NPC27581 |
Intermediate Similarity | 0.8125 | NPC304074 |
Intermediate Similarity | 0.8125 | NPC471771 |
Intermediate Similarity | 0.8125 | NPC290755 |
Intermediate Similarity | 0.8067 | NPC168861 |
Intermediate Similarity | 0.8025 | NPC280022 |
Intermediate Similarity | 0.8024 | NPC473404 |
Intermediate Similarity | 0.8012 | NPC61004 |
Intermediate Similarity | 0.7939 | NPC17698 |
Intermediate Similarity | 0.7931 | NPC296712 |
Intermediate Similarity | 0.7929 | NPC319950 |
Intermediate Similarity | 0.7929 | NPC283760 |
Intermediate Similarity | 0.7914 | NPC66490 |
Intermediate Similarity | 0.7895 | NPC94862 |
Intermediate Similarity | 0.7877 | NPC478147 |
Intermediate Similarity | 0.7852 | NPC314835 |
Intermediate Similarity | 0.7838 | NPC244866 |
Intermediate Similarity | 0.7834 | NPC56685 |
Intermediate Similarity | 0.7829 | NPC91953 |
Intermediate Similarity | 0.78 | NPC6570 |
Intermediate Similarity | 0.7798 | NPC97526 |
Intermediate Similarity | 0.7798 | NPC119652 |
Intermediate Similarity | 0.7797 | NPC477552 |
Intermediate Similarity | 0.7797 | NPC477550 |
Intermediate Similarity | 0.7771 | NPC302715 |
Intermediate Similarity | 0.7763 | NPC197921 |
Intermediate Similarity | 0.7751 | NPC170302 |
Intermediate Similarity | 0.7751 | NPC475564 |
Intermediate Similarity | 0.7751 | NPC475409 |
Intermediate Similarity | 0.7746 | NPC102959 |
Intermediate Similarity | 0.7744 | NPC328649 |
Intermediate Similarity | 0.7742 | NPC311658 |
Intermediate Similarity | 0.7727 | NPC477632 |
Intermediate Similarity | 0.7727 | NPC477638 |
Intermediate Similarity | 0.7716 | NPC241794 |
Intermediate Similarity | 0.7714 | NPC188867 |
Intermediate Similarity | 0.7714 | NPC281686 |
Intermediate Similarity | 0.7714 | NPC106551 |
Intermediate Similarity | 0.7712 | NPC469360 |
Intermediate Similarity | 0.7709 | NPC477551 |
Intermediate Similarity | 0.7701 | NPC477636 |
Intermediate Similarity | 0.7701 | NPC60516 |
Intermediate Similarity | 0.7684 | NPC477639 |
Intermediate Similarity | 0.7658 | NPC300443 |
Intermediate Similarity | 0.7654 | NPC114806 |
Intermediate Similarity | 0.7643 | NPC317254 |
Intermediate Similarity | 0.764 | NPC323336 |
Intermediate Similarity | 0.764 | NPC326349 |
Intermediate Similarity | 0.7639 | NPC474862 |
Intermediate Similarity | 0.7639 | NPC142577 |
Intermediate Similarity | 0.7633 | NPC473546 |
Intermediate Similarity | 0.7628 | NPC16188 |
Intermediate Similarity | 0.7614 | NPC477631 |
Intermediate Similarity | 0.761 | NPC202198 |
Intermediate Similarity | 0.7593 | NPC24617 |
Intermediate Similarity | 0.7552 | NPC239697 |
Intermediate Similarity | 0.7551 | NPC477937 |
Intermediate Similarity | 0.7545 | NPC46009 |
Intermediate Similarity | 0.753 | NPC209463 |
Intermediate Similarity | 0.7515 | NPC63931 |
Intermediate Similarity | 0.75 | NPC476353 |
Intermediate Similarity | 0.7456 | NPC306804 |
Intermediate Similarity | 0.7452 | NPC314114 |
Intermediate Similarity | 0.745 | NPC311753 |
Intermediate Similarity | 0.744 | NPC475204 |
Intermediate Similarity | 0.744 | NPC475123 |
Intermediate Similarity | 0.744 | NPC40234 |
Intermediate Similarity | 0.7429 | NPC474584 |
Intermediate Similarity | 0.7417 | NPC45191 |
Intermediate Similarity | 0.7412 | NPC471165 |
Intermediate Similarity | 0.7407 | NPC244509 |
Intermediate Similarity | 0.7396 | NPC89831 |
Intermediate Similarity | 0.7391 | NPC5194 |
Intermediate Similarity | 0.7391 | NPC261934 |
Intermediate Similarity | 0.7368 | NPC50016 |
Intermediate Similarity | 0.7361 | NPC142638 |
Intermediate Similarity | 0.7361 | NPC317784 |
Intermediate Similarity | 0.7357 | NPC329011 |
Intermediate Similarity | 0.7342 | NPC81026 |
Intermediate Similarity | 0.7338 | NPC64205 |
Intermediate Similarity | 0.7338 | NPC6913 |
Intermediate Similarity | 0.7333 | NPC161593 |
Intermediate Similarity | 0.7333 | NPC145888 |
Intermediate Similarity | 0.7333 | NPC16031 |
Intermediate Similarity | 0.7329 | NPC326079 |
Intermediate Similarity | 0.7329 | NPC233702 |
Intermediate Similarity | 0.7322 | NPC469443 |
Intermediate Similarity | 0.7308 | NPC476989 |
Intermediate Similarity | 0.7293 | NPC329295 |
Intermediate Similarity | 0.729 | NPC313694 |
Intermediate Similarity | 0.729 | NPC242159 |
Intermediate Similarity | 0.7288 | NPC96275 |
Intermediate Similarity | 0.7284 | NPC262166 |
Intermediate Similarity | 0.7283 | NPC269750 |
Intermediate Similarity | 0.7283 | NPC194671 |
Intermediate Similarity | 0.7278 | NPC266741 |
Intermediate Similarity | 0.7273 | NPC197470 |
Intermediate Similarity | 0.7273 | NPC244336 |
Intermediate Similarity | 0.7267 | NPC473491 |
Intermediate Similarity | 0.7255 | NPC470392 |
Intermediate Similarity | 0.7255 | NPC88667 |
Intermediate Similarity | 0.7251 | NPC248670 |
Intermediate Similarity | 0.7251 | NPC137627 |
Intermediate Similarity | 0.7248 | NPC47667 |
Intermediate Similarity | 0.7239 | NPC39431 |
Intermediate Similarity | 0.7211 | NPC56634 |
Intermediate Similarity | 0.7209 | NPC26108 |
Intermediate Similarity | 0.7209 | NPC476227 |
Intermediate Similarity | 0.7209 | NPC279871 |
Intermediate Similarity | 0.7207 | NPC51047 |
Intermediate Similarity | 0.7203 | NPC118202 |
Intermediate Similarity | 0.72 | NPC477637 |
Intermediate Similarity | 0.7195 | NPC476268 |
Intermediate Similarity | 0.7179 | NPC132636 |
Intermediate Similarity | 0.7163 | NPC474149 |
Intermediate Similarity | 0.716 | NPC324081 |
Intermediate Similarity | 0.7151 | NPC273755 |
Intermediate Similarity | 0.7143 | NPC328070 |
Intermediate Similarity | 0.7134 | NPC322526 |
Intermediate Similarity | 0.7134 | NPC197045 |
Intermediate Similarity | 0.7118 | NPC294516 |
Intermediate Similarity | 0.7118 | NPC107938 |
Intermediate Similarity | 0.7118 | NPC141957 |
Intermediate Similarity | 0.711 | NPC159767 |
Intermediate Similarity | 0.711 | NPC155506 |
Intermediate Similarity | 0.711 | NPC158277 |
Intermediate Similarity | 0.7108 | NPC56635 |
Intermediate Similarity | 0.7099 | NPC132771 |
Intermediate Similarity | 0.7093 | NPC230611 |
Intermediate Similarity | 0.7093 | NPC328494 |
Intermediate Similarity | 0.7092 | NPC258056 |
Intermediate Similarity | 0.709 | NPC220060 |
Intermediate Similarity | 0.7086 | NPC45037 |
Intermediate Similarity | 0.7079 | NPC235194 |
Intermediate Similarity | 0.707 | NPC473055 |
Intermediate Similarity | 0.707 | NPC473052 |
Intermediate Similarity | 0.7056 | NPC246591 |
Intermediate Similarity | 0.7055 | NPC311737 |
Intermediate Similarity | 0.7055 | NPC38458 |
Intermediate Similarity | 0.7053 | NPC478005 |
Intermediate Similarity | 0.7053 | NPC469444 |
Intermediate Similarity | 0.7039 | NPC321561 |
Intermediate Similarity | 0.703 | NPC476742 |
Intermediate Similarity | 0.7025 | NPC471201 |
Intermediate Similarity | 0.7018 | NPC473502 |
Intermediate Similarity | 0.7014 | NPC309808 |
Intermediate Similarity | 0.7011 | NPC136797 |
Intermediate Similarity | 0.7011 | NPC473402 |
Intermediate Similarity | 0.7006 | NPC207675 |
Intermediate Similarity | 0.7006 | NPC212699 |
Intermediate Similarity | 0.7 | NPC231705 |
Intermediate Similarity | 0.7 | NPC327481 |
Remote Similarity | 0.6988 | NPC476741 |
Remote Similarity | 0.6986 | NPC82963 |
Remote Similarity | 0.6983 | NPC299806 |
Remote Similarity | 0.6978 | NPC470728 |
Remote Similarity | 0.6977 | NPC186617 |
Remote Similarity | 0.6975 | NPC119569 |
Remote Similarity | 0.6968 | NPC257390 |
Remote Similarity | 0.6968 | NPC48909 |
Remote Similarity | 0.6964 | NPC62104 |
Remote Similarity | 0.6964 | NPC1390 |
Remote Similarity | 0.6964 | NPC319320 |
Remote Similarity | 0.6964 | NPC287757 |
Remote Similarity | 0.6957 | NPC80514 |
Remote Similarity | 0.6952 | NPC473450 |
Remote Similarity | 0.6951 | NPC476743 |
Remote Similarity | 0.695 | NPC142297 |
Remote Similarity | 0.6948 | NPC271808 |
Remote Similarity | 0.6943 | NPC469445 |
Remote Similarity | 0.6943 | NPC470441 |
Remote Similarity | 0.6936 | NPC473693 |
Remote Similarity | 0.6936 | NPC471568 |
Remote Similarity | 0.6927 | NPC294951 |
Remote Similarity | 0.6923 | NPC319579 |
Remote Similarity | 0.6919 | NPC302597 |
Remote Similarity | 0.6918 | NPC238412 |
Remote Similarity | 0.6914 | NPC473354 |
Remote Similarity | 0.6914 | NPC473804 |
Remote Similarity | 0.6911 | NPC194699 |
TTD   | DNAP001539 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | 451417 |
ChEBI   | |
CAS Number   |
Molecular Weight   | 679.37 |
ALogP   | -4.7678 |
MLogP   | 2.78 |
XLogP   | -2.518 |
HDA   | 17 |
HBD   | 12 |
Rotatable Bonds   | 35 |
TPSA   | 339.13 |
RO5 Violation   | 3 |