General Information of the Compound
Compound ID
CP0049376
Compound Name
CICLACILLIN
    Show/Hide
Synonyms
(1-Aminocyclohexyl)penicillin
(2S,5R,6R)-6-[(1-aminocyclohexanecarbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
(2S,5R,6R)-6-{[(1-aminocyclohexyl)carbonyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(1-aminocyclohexanecarboxamido)-3,3-dimethyl-7-oxo-(8CI)
6-(1-Aminocyclohexanecarboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
6-(1-Aminocyclohexanecarboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
6-(1-Aminocyclohexanecarboxamido)penicillanic acid
6-(1-Aminocyclohexylcarboxamido)penicillanic acid
6beta-(1-aminocyclohexanecarboxamido)-2,2-dimethylpenam-3alpha-carboxylic acid
AC 98
Aminocyclohexyl penicillin
Aminocyclohexylpenicillin
Bastcillin
C-12104
Calthor
Ciclacilina
Ciclacilina [INN-Spanish]
Ciclacillin
Ciclacillin (JP15/INN)
Ciclacilline
Ciclacilline [INN-French]
Ciclacillinum
Ciclacillinum [INN-Latin]
Ciclacillum
Citosarin
Cyclacillin
Cyclacillin (USAN)
Cyclacillin [USAN]
Cyclapen
Cyclapen (TN)
Cyclapen-W
Cyclapen-W (TN)
Noblicil
Orfilina
Peamezin
Syngacillin
Ultracillin
Vastcillin
Vastcillin (TN)
Vipicil
WY 4508
WY4508
Wy-4508
Wyvital
    Show/Hide
Structure
Formula
C15H23N3O4S
Molecular Weight
341.433
Canonical SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(O)=O
    Show/Hide
InChI
InChI=1S/C15H23N3O4S/c1-14(2)9(12(20)21)18-10(19)8(11(18)23-14)17-13(22)15(16)6-4-3-5-7-15/h8-9,11H,3-7,16H2,1-2H3,(H,17,22)(H,20,21)/t8-,9+,11-/m1/s1
    Show/Hide
InChIKey
HGBLNBBNRORJKI-WCABBAIRSA-N
CAS
3485-14-1
Physicochemical Property
logP
0.2797
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
112.73
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 19003
SID: 15075673
ChEMBL ID
CHEMBL1200356
DrugBank ID
DB01000
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: PT06345, Solute carrier family 15 member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000009 LLC-PK1 Sus scrofa (Pig)  1
1
Ki = 27000 nM
   TI
   LI
   LO
   TS
CL000770 SKPT-0193 Cl.2 Rattus norvegicus (Rat)  1
1
Ki = 44000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Cyclacillin )
Drug Name Cyclacillin
Indication
Bacterial infection
Approved