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
• #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: CHEBI:59773
  CAS Number: 16110-51-3
  UNII: Y0TK0FS77W
  DrugBank ID: DB01003
  TTD ID: D06NSS
  ACDINA ID: D00971
• 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 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

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.