Details of the Drug

General Information of Drug (ID: DM3JFZ2)

Drug Name

CXL

Synonyms

CYCLOHEXANOL; 108-93-0; Cyclohexyl alcohol; Hexahydrophenol; Hydrophenol; Hydroxycyclohexane; Hexalin; 1-Cyclohexanol; Hydralin; Adronal; Naxol; Adronol; Anol; Cykloheksanol; Cicloesanolo; Phenol, hexahydro-; Cicloesanolo [Italian]; Cykloheksanol [Polish]; Cyclohexanone cyclohexanol mixture; Cyclohexan-1-ol; HSDB 61; NSC 403656; UNII-8E7S519M3P; CCRIS 5896; EINECS 203-630-6; BRN 0906744; AI3-00040; CHEBI:18099; HPXRVTGHNJAIIH-UHFFFAOYSA-N; 8E7S519M3P; MFCD00003855; Cyclohexanol, 98%; CXL; Cyclohexanols; DSSTox_CID_1894; DSSTox_RID_76390

Indication

Disease Entry	ICD 11	Status	REF
Methicillin-resistant staphylococci infection	1A00-1A09	Phase 2	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

100.16

Logarithm of the Partition Coefficient (xlogp)

1.2

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C6H12O
IUPAC Name: cyclohexanol
Canonical SMILES: C1CCC(CC1)O
InChI: InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKey: HPXRVTGHNJAIIH-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 7966
ChEBI ID: CHEMBL18099
CAS Number: 108-93-0
UNII: 8E7S519M3P
DrugBank ID: DB03703
TTD ID: D08DGW

Drug ADMET Endpoint Profile (DAE)^NEW

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Staphylococcus Beta-lactamase (Stap-coc blaZ)	TTHI19T	BLAC_STAAU	Modulator	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Ezrin (EZR)	OTHBPF1Z	EZRI_HUMAN	Gene/Protein Processing	[3]

Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	Clinical pipeline report, company report or official report of AstraZeneca.
2	Beta-Lactam Antibiotics Renaissance. Antibiotics. 2014, 3(2), 193-215.
3	Discovery of Ezrin Expression as a Potential Biomarker for Chemically Induced Ocular Irritation Using Human Corneal Epithelium Cell Line and a Reconstructed Human Cornea-like Epithelium Model. Toxicol Sci. 2018 Oct 1;165(2):335-346. doi: 10.1093/toxsci/kfy134.