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Compound Detail

CHEMBL428880

CROMOLYN
💊 Approved Drug
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💊 Approved Drug
O=C(O)c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL428880
Name CROMOLYN
Phase Approved
Structure Type MOL
InChI Key IMZMKUWMOSJXDT-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Acide cromoglicique Acido cromoglicico Cromo-comod Cromoglicate Cromoglicic acid Cromoglycate Cromolyn R03BC01
3
Targets
11
Activities
2
Assay Types
0
PK Parameters
20
Publications
8
Known Names
11
Indications

Molecular Properties

468.4
MW (Da)
2.11
ALogP
9
HBA
3
HBD
173.7
PSA (Ų)
0.35
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1982
Availability OTC
Chirality Achiral

Routes of Administration

Oral Topical

Flags

Natural Product
USAN Year 1968

Extended Properties

Molecular Formula C23H16O11
MW 468.37
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness 0.22

Indications

Eczema Eye Manifestations Lung Diseases, Obstructive Nasal Obstruction Stroke Amyotrophic Lateral Sclerosis Mastocytosis Psoriasis Alzheimer Disease Psychotic Disorders Schizophrenia

ATC Classification

A07EB01
cromoglicic acid
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
D11AH03
cromoglicic acid
Level 1: DERMATOLOGICALS
Level 2: OTHER DERMATOLOGICAL PREPARATIONS
R01AC01
cromoglicic acid
Level 1: RESPIRATORY SYSTEM
Level 2: NASAL PREPARATIONS
R01AC51
cromoglicic acid, combinations
Level 1: RESPIRATORY SYSTEM
Level 2: NASAL PREPARATIONS
R03BC01
cromoglicic acid
Level 1: RESPIRATORY SYSTEM
Level 2: DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
S01GX01
cromoglicic acid
Level 1: SENSORY ORGANS
Level 2: OPHTHALMOLOGICALS
S01GX51
cromoglicic acid, combinations
Level 1: SENSORY ORGANS
Level 2: OPHTHALMOLOGICALS

Activity Summary

EC50 9 meas. best 7.28
Ki 2 meas. best 5.63

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G-protein coupled receptor 35
CHEMBL1293267
 EC50 7.28 5.9914 52.0 7
G-protein coupled receptor 35
CHEMBL1293267
 Ki 5.63 5.58 2340.0 2
Unchecked
CHEMBL612545
 EC50 5.4 5.4 4000.0 1
G-protein coupled receptor 35
CHEMBL2390813
 EC50 4.24 4.24 58000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
G-protein coupled receptor 35 EC50 = 52.0 nM 7.28 Agonist activity at human GPR35 expressed in CHO-K1 cells by DMR assay 27976894
G-protein coupled receptor 35 EC50 = 210.0 nM 6.68 Agonist activity at human GPR35 by Ca+2 release assay 23888932
G-protein coupled receptor 35 EC50 = 520.0 nM 6.28 Agonist activity at human GPR35 by DMR assay 23888932
G-protein coupled receptor 35 EC50 = 520.0 nM 6.28 Agonist activity at GPR-35 (unknown origin) expressed in HT-29 cells by DMR assa... 37077394
G-protein coupled receptor 35 Ki = 2340.0 nM 5.63 Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells... 23888932
G-protein coupled receptor 35 Ki = 2970.0 nM 5.53 Competitive binding affinity to Nluc-fused human GPR35 expressed in CHO-K1 cells... 37077394
Unchecked EC50 = 4000.0 nM 5.4 Agonist activity at rat GPR35 by beta-arrestin recruitment assay 37976806
G-protein coupled receptor 35 EC50 = 7000.0 nM 5.16 Agonist activity at human GPR35 expressed in CHO-K1 cells after 90 mins by beta-... 27976894
G-protein coupled receptor 35 EC50 = 7000.0 nM 5.16 Agonist activity at GPR-35 (unknown origin) by beta-arrestin assay 37077394
G-protein coupled receptor 35 EC50 = 8000.0 nM 5.1 Agonist activity at human GPR35 by beta-arrestin recruitment assay 37976806
G-protein coupled receptor 35 EC50 = 58000.0 nM 4.24 Agonist activity at mouse GPR35 by beta-arrestin recruitment assay 37976806

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885881 Rattus norvegicus 252
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 14
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
32707527 10.1016/j.ejmech.2020.112621 BXPC-3 4
34547896 10.1021/acs.jmedchem.1c00823 Transthyretin 4
32707527 10.1016/j.ejmech.2020.112621 PANC-1 4
23888932 10.1021/jm4009373 G-protein coupled receptor 35 4
37077394 10.1021/acsmedchemlett.2c00461 G-protein coupled receptor 35 3
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 2
21965623 10.1124/dmd.111.040758 Bile salt export pump 2
27976894 10.1021/acs.jmedchem.6b01431 G-protein coupled receptor 35 2
- 10.6019/CHEMBL3301361 No relevant target 2
22931300 10.1021/tx300075j Cytochrome P450 3A4 2
22931300 10.1021/tx300075j Liver microsomes 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 2

Data from ChEMBL 36 via Core Engine