Details of the Drug

General Information of Drug (ID: DM74LZK)

Drug Name
Cromoglicate
Synonyms Crolom (TN); Intal (TN); Nasalcrom (TN); Opticrom (TN); Optrex Allergy (TN); Prevalin (TN); Rynacrom (TN)
Indication
Disease Entry ICD 11 Status REF
Asthma CA23 Approved [1]
Vernal keratoconjunctivitis N.A. Approved [2]
Allergic rhinitis CA08.0 Terminated [3]
Giant papillary conjunctivitis N.A. Investigative [4]
Therapeutic Class
Antiasthmatic Agents
Affected Organisms
Humans and other mammals
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 468.4
Logarithm of the Partition Coefficient (xlogp) 1.9
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 11
ADMET Property
Absorption
The absorption of drug is 1% []
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 3: high solubility and low permeability [5]
Elimination
50% of drug is excreted from urine in the unchanged form [5]
Half-life
The concentration or amount of drug in body reduced by one-half in 1.3 hours [6]
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 28.39591 micromolar/kg/day [7]
Water Solubility
The ability of drug to dissolve in water is measured as 210 mg/mL [5]
Chemical Identifiers
Formula
C23H16O11
IUPAC Name
5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylic acid
Canonical SMILES
C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)O)O)C(=O)C=C(O2)C(=O)O
InChI
InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)
InChIKey
IMZMKUWMOSJXDT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2882
ChEBI ID
CHEMBL428880
CAS Number
16110-51-3
UNII
Y0TK0FS77W
DrugBank ID
DB01003
TTD ID
D06NSS
ACDINA ID
D00971
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Heat shock protein 90 alpha (HSP90A) TT78R5H HS90A_HUMAN Inhibitor [8]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Asthma
ICD Disease Classification CA23
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Heat shock protein 90 alpha (HSP90A) DTT HSP90AA1 3.96E-01 0.18 0.48
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG
DIG Name DIG ID PubChem CID Functional Classification
Sorbitan trioleate E00495 6435912 Dispersing agent; Emulsifying agent; Solubilizing agent; Surfactant; Suspending agent; Vaccine adjuvant
Water E00035 962 Solvent
Dichlorodifluoromethane E00122 6391 Aerosol propellant
Dichlorotetrafluoroethane E00124 6429 Aerosol propellant
Pharmaceutical Formulation
Formulation Name Drug Dosage Dosage Form Route
Cromolyn 0.8mg/inh aerosol 0.8mg/inh Aerosol Inhalation
Cromolyn 10mg/ml solution 10mg/ml Solution Inhalation
Jump to Detail Pharmaceutical Formulation Page of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7608).
2 Twenty-first century mast cell stabilizers. Br J Pharmacol. 2013 Sep;170(1):23-37.
3 Sodium cromoglicate: an ineffective drug or meta-analysis misused Pharm Stat. 2007 Apr-Jun;6(2):123-37.
4 Diagnostics and new developments in the treatment of ocular allergies. Curr Allergy Asthma Rep. 2012 Jun;12(3):232-9.
5 BDDCS applied to over 900 drugs
6 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
7 Estimating the safe starting dose in phase I clinical trials and no observed effect level based on QSAR modeling of the human maximum recommended daily dose
8 Hsp90 is a direct target of the anti-allergic drugs disodium cromoglycate and amlexanox. Biochem J. 2003 Sep 1;374(Pt 2):433-41.