General Information of the Compound
Compound ID
CP0087624
Compound Name
(2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetoxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-hept-5-enoic acid
    Show/Hide
Synonyms
(2Z)-2-[(17Z)-16beta-acetoxy-3alpha,11alpha-dihydroxy-4alpha,8alpha,10,14beta-tetramethyl-5alpha,9beta,13alpha-gonan-17-ylidene]-6-methylhept-5-enoic acid
(2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid
(2Z)-2-[(3alpha,4alpha,5alpha,8alpha,9beta,11alpha,13alpha,14beta,16beta,17Z)-16-(acetyloxy)-3,11-dihydroxy-4,8,10,14-tetramethylgonan-17-ylidene]-6-methylhept-5-enoic acid
16-(Acetyloxy)-3,11-dihydroxy-29-nordammara-17(20),24-dien-21-oic acid
3.alpha.,11.alpha.,16.beta.-Trihydroxy-29-nor-8.alpha.,9.beta.,13.alpha.,14.beta.-dammara-17(20),24-dien-21-oic acid 16-acetate
C.A.S. 62,602
Diethanolamine fusidate
FUCIDIN
Fuci (TN)
Fucibet (TN)
Fucicort (TN)
Fucidate
Fucidate Sodium
Fucidic acid
Fucidin (TN)
Fucidin Cream 2%
Fucidin acid
Fucidine (TN)
Fucithalmic
Fucithalmic (TN)
Fucizon (TN)
Fudic (TN)
Fusidate
Fusiderm (TN)
Fusidic Acid
Fusidic acid (USAN/INN)
Fusidin (TN)
Fusidine
Ramycin
SQ 16,603
    Show/Hide
Structure
Formula
C31H48O6
Molecular Weight
516.719
Canonical SMILES
C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O
    Show/Hide
InChI
InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1
    Show/Hide
InChIKey
IECPWNUMDGFDKC-MZJAQBGESA-N
CAS
6990-06-3
Physicochemical Property
logP
5.6661
Rotatable Bonds
5
Heavy Atom Count
37
Polar Areas
104.06
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
37

"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
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 3000226
SID: 24702594
ChEMBL ID
CHEMBL374975
DrugBank ID
DB02703
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT04542, Bile salt export pump
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 10100 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Fusidic Acid )
Drug Name Fusidic Acid
Company Leo Laboratories
Indication
Bacterial infection
Approved
MRSA infection
Phase 3