General Information of the Compound
| Compound ID |
CP0000815
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| Compound Name |
Rapamycin C-7, analog 4
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| Synonyms |
(-)-Rapamycin
23,27-Epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclohentriacontine
23,27-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclohentriacontine
23,27-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclohentriacontine-1,5,11,28,29
3H-pyrido(2,1-c)(1,4)oxaazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone
53123-88-9
AY 22989
AY-22989
Antibiotic AY 22989
C51H79NO13
CCRIS 9024
CHEBI:9168
Cypher
DE-109
DSSTox_CID_3582
DSSTox_GSID_23582
DSSTox_RID_77091
HSDB 7284
Heptadecahydro-9,27-dihydroxy-3-[(1R)-2-[(1S,3R,4R)-4-hydroxy
I 2190A
I-2190A
I2190A
LCP-Siro
MS-R001
MTOR inhibitors
NCGC00021305-05
NSC 226080
Perceiva
RAP
RAPA
RPM
Rapammune
Rapamune
Rapamune (TN)
Rapamycin
Rapamycin (Sirolimus)
Rapamycin (TN)
Rapamycin C-7, analog 4
Rapamycin from Streptomyces hygroscopicus
SIIA 9268A
SILA 9268A
Sirolimus
Sirolimus (MTOR inhibitor)
Sirolimus (RAPAMUNE)
Sirolimus (USAN/INN)
Sirolimus [USAN:BAN:INN]
Sirolimus, Rapamune,Rapamycin
Supralimus
UNII-W36ZG6FT64
W36ZG6FT64
WY-090217
Wy 090217
sirolimusum
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| Structure |
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| Formula |
C51H79NO13
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| Molecular Weight |
914.187
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| Canonical SMILES |
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O
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| InChI |
InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1
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| InChIKey |
QFJCIRLUMZQUOT-HPLJOQBZSA-N
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| CAS |
53123-88-9
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01049, Cytochrome P450 2C19
Protein ID: PT00905, Cytochrome P450 2C9
Protein ID: PT00986, Cytochrome P450 3A4
Protein ID: PT06109, Geminin
Protein ID: PT01552, Nuclear receptor subfamily 1 group I member 2
Protein ID: PT06369, Programmed cell death protein 4
Protein ID: PT02733, Serine/threonine-protein kinase mTOR
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Protein ID: PT03566, Solute carrier organic anion transporter family member 1B1
Clinical Information about the Compound
Drug 1 ( Sirolimus )
| Drug Name | Sirolimus | ||
|---|---|---|---|
| Company | Wyeth | ||
| Indication | |||
| Target(s) | |||
Drug 2 ( Sirolimus )
| Drug Name | Sirolimus | ||
|---|---|---|---|
| Indication | |||
| Target(s) | |||