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Compound Detail

CHEMBL902

FAMOTIDINE
💊 Approved Drug
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💊 Approved Drug
NC(N)=Nc1nc(CSCC/C(N)=N/S(N)(=O)=O)cs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL902
Name FAMOTIDINE
Phase Approved
Structure Type MOL
InChI Key XUFQPHANEAPEMJ-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Amfamox Fadul Famodil Famosan Famotidina Famotidine Famotidine component of duexis Famotidine component of pepcid complete Famotidine preservative free Famotidine preservative free (pharmacy bulk) Famoxal Fluxid +18 more
19
Targets
25
Activities
3
Assay Types
9
PK Parameters
20
Publications
30
Known Names
20
Indications
1
Mechanisms

Molecular Properties

337.5
MW (Da)
-0.77
ALogP
6
HBA
4
HBD
175.8
PSA (Ų)
0.29
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1986
Availability OTC
Chirality Achiral

Routes of Administration

Oral Parenteral

Flags

Natural Product
USAN Stem -tidine
USAN Year 1984

Extended Properties

Molecular Formula C8H15N7O2S3
MW 337.46
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.83

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Histamine H2 receptor antagonist ANTAGONIST Histamine H2 receptor ✓ ✓

Indications

Arthritis, Rheumatoid Chest Pain Duodenal Ulcer Esophagitis Gastroesophageal Reflux Heartburn Osteoarthritis Peptic Ulcer Stomach Ulcer Ulcer Gastrointestinal Hemorrhage Severe Acute Respiratory Syndrome Anemia, Sickle Cell Breast Carcinoma In Situ Breast Neoplasms Breast Neoplasms Eosinophilic Esophagitis Immunoglobulin G4-Related Disease Movement Disorders Schizophrenia

ATC Classification

A02BA03
famotidine
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: DRUGS FOR ACID RELATED DISORDERS
A02BA53
famotidine, combinations
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: DRUGS FOR ACID RELATED DISORDERS

Activity Summary

Ki 16 meas. best 8.52
IC50 7 meas. best 7.38
Kd 2 meas. best 7.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Carbonic anhydrase 7
CHEMBL2326
 Ki 8.52 8.52 3.0 1
Histamine H2 receptor
CHEMBL2882
 Kd 7.74 7.37 18.2 2
Unchecked
CHEMBL612545
 Ki 7.68 7.49 20.7 2
Histamine H2 receptor
CHEMBL1941
 Ki 7.39 7.39 41.0 1
Histamine H2 receptor
CHEMBL1941
 IC50 7.38 7.38 42.0 1
Carbonic anhydrase 12
CHEMBL3242
 Ki 7.34 7.34 45.3 1
Carbonic anhydrase 2
CHEMBL205
 Ki 7.24 7.24 57.9 1
Carbonic anhydrase 6
CHEMBL3025
 Ki 7.01 7.01 98.2 1
Carbonic anhydrase 9
CHEMBL3594
 Ki 6.9 6.9 126.3 1
Carbonic anhydrase 13
CHEMBL3912
 Ki 6.77 6.77 171.5 1
Histamine H2 receptor
CHEMBL2882
 IC50 6.52 6.52 300.0 1
Carbonic anhydrase 14
CHEMBL3510
 Ki 6.17 6.17 677.2 1
Multidrug and toxin extrusion protein 1
CHEMBL1743126
 IC50 6.12 6.12 760.0 1
Carbonic anhydrase 1
CHEMBL261
 Ki 6.04 6.04 922.4 1
Carbonic anhydrase 4
CHEMBL3729
 Ki 6.03 6.03 938.8 1
Carbonic anhydrase 5A, mitochondrial
CHEMBL4789
 Ki 5.84 5.84 1429.5 1
Carbonic anhydrase 5B, mitochondrial
CHEMBL3969
 Ki 5.27 5.27 5328.2 1
Solute carrier family 22 member 3
CHEMBL2073673
 IC50 4.97 4.97 10700.0 1
Multidrug and toxin extrusion protein 2
CHEMBL1743127
 IC50 4.44 4.44 36200.0 1
Solute carrier family 22 member 2
CHEMBL1743122
 IC50 4.44 4.44 36100.0 1
POU domain, class 5, transcription factor 1
CHEMBL3580526
 IC50 4.17 4.17 67600.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 6.6 mL.min-1.kg-1 Homo sapiens
CL 6.6 mL.min-1.kg-1 Homo sapiens
CL 87.4 mL.min-1.g-1 Homo sapiens
F 49.0 % Homo sapiens
F 42.0 % Homo sapiens
F 42.0 % Homo sapiens
Fu 0.84 - Homo sapiens
MRT 3.0 hr Homo sapiens
T1/2 2.8 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Carbonic anhydrase 7 Ki = 3.0 nM 8.52 Inhibition of recombinant human CA7 preincubated for 15 mins prior to testing me... 30344913
Histamine H2 receptor Kd = 18.2 nM 7.74 Histamine H2 receptor antagonistic activity on the isolated spontaneously beatin... 12729649
Unchecked Ki = 20.7 nM 7.68 Inhibition of recombinant Helicobacter pylori alpha carbonic anhydrase preincuba... 30344913
Histamine H2 receptor Ki = 41.0 nM 7.39 DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine) -
Histamine H2 receptor IC50 = 42.0 nM 7.38 DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine) -
Carbonic anhydrase 12 Ki = 45.3 nM 7.34 Inhibition of recombinant human CA12 preincubated for 15 mins prior to testing m... 30344913
Unchecked Ki = 49.8 nM 7.3 Inhibition of recombinant Helicobacter pylori beta carbonic anhydrase preincubat... 30344913
Carbonic anhydrase 2 Ki = 57.9 nM 7.24 Inhibition of recombinant human CA2 preincubated for 15 mins prior to testing me... 30344913
Carbonic anhydrase 6 Ki = 98.2 nM 7.01 Inhibition of recombinant human CA6 preincubated for 15 mins prior to testing me... 30344913
Histamine H2 receptor Kd = 100.0 nM 7.0 In vitro inhibitory activity against histamine H2-receptor in isolated Guinea pi... 1352351
Carbonic anhydrase 9 Ki = 126.3 nM 6.9 Inhibition of recombinant human CA9 preincubated for 15 mins prior to testing me... 30344913
Carbonic anhydrase 13 Ki = 171.5 nM 6.77 Inhibition of recombinant human CA13 preincubated for 15 mins prior to testing m... 30344913
Histamine H2 receptor IC50 = 300.0 nM 6.52 Compound was tested for H2 receptor antagonistic activity against histamine stim... 7904648
Carbonic anhydrase 14 Ki = 677.2 nM 6.17 Inhibition of recombinant human CA14 preincubated for 15 mins prior to testing m... 30344913
Multidrug and toxin extrusion protein 1 IC50 = 760.0 nM 6.12 Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1... 23241029
Carbonic anhydrase 1 Ki = 922.4 nM 6.04 Inhibition of recombinant human CA1 preincubated for 15 mins prior to testing me... 30344913
Carbonic anhydrase 4 Ki = 938.8 nM 6.03 Inhibition of recombinant human CA4 preincubated for 15 mins prior to testing me... 30344913
Carbonic anhydrase 5A, mitochondrial Ki = 1429.5 nM 5.84 Inhibition of recombinant human CA5a preincubated for 15 mins prior to testing m... 30344913
Carbonic anhydrase 5B, mitochondrial Ki = 5328.2 nM 5.27 Inhibition of recombinant human CA5b preincubated for 15 mins prior to testing m... 30344913
Solute carrier family 22 member 3 IC50 = 10700.0 nM 4.97 Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 ... 23241029

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885861 Rattus norvegicus 1386
- 10.6019/CHEMBL3885881 Rattus norvegicus 214
16472241 10.2174/1570163043334794 Hepatotoxicity 18
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 14
7904648 10.1021/jm00027a007 Rattus norvegicus 13
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
- 10.6019/CHEMBL5058564 Fibroblast 7
36067397 10.1021/acs.jmedchem.2c01075 Solute carrier family 22 member 3 6
- 10.6019/CHEMBL5209801 Adhesion G-protein coupled receptor F1 5
- 10.6019/CHEMBL5209801 Sphingosine 1-phosphate receptor 1 5
- 10.6019/CHEMBL5058564 HEK-293T 5
- 10.6019/CHEMBL5209801 Type-1 angiotensin II receptor 5
- 10.6019/CHEMBL5209801 Alpha-2A adrenergic receptor 5
- 10.6019/CHEMBL5209801 Free fatty acid receptor 4 5
- 10.6019/CHEMBL5209801 Apelin receptor 5
- 10.6019/CHEMBL5209801 CX3C chemokine receptor 1 5
- 10.6019/CHEMBL5209801 Glucagon-like peptide 1 receptor 5
- 10.6019/CHEMBL5209801 Glucose-dependent insulinotropic receptor 5
- 10.6019/CHEMBL5209801 C5a anaphylatoxin chemotactic receptor 1 5

Data from ChEMBL 36 via Core Engine