Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL12318

CLODRONIC ACID
🧪 Phase III
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
🧪 Phase III
O=P(O)(O)C(Cl)(Cl)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL12318
Name CLODRONIC ACID
Phase Phase III
Structure Type MOL
InChI Key ACSIXWWBWUQEHA-UHFFFAOYSA-N

Known Names

Acide clodronique Acido clodronico Clodronate Clodronic acid
2
Targets
8
Activities
3
Assay Types
1
PK Parameters
20
Publications
4
Known Names
2
Indications

Molecular Properties

244.9
MW (Da)
0.43
ALogP
2
HBA
4
HBD
115.1
PSA (Ų)
0.41
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -dronate
USAN Year 1977

Extended Properties

Molecular Formula CH4Cl2O6P2
MW 244.89
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness 0.15

Indications

Bone Diseases Brachial Plexus Neuropathies

ATC Classification

M05BA02
clodronic acid
Level 1: MUSCULO-SKELETAL SYSTEM
Level 2: DRUGS FOR TREATMENT OF BONE DISEASES

Activity Summary

IC50 4 meas.
EC50 3 meas. best 6.96
Ki 1 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type IV secretion-like conjugative transfer relaxase protein TraI
CHEMBL4296318
 Ki 8.52 8.52 3.0 1
Escherichia coli
CHEMBL354
 EC50 6.96 6.005 110.0 2

Pharmacokinetic Data

Parameter Value Units Species
T1/2 1.0 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Type IV secretion-like conjugative transfer relaxase protein TraI Ki = 3.0 nM 8.52 Inhibition of Escherichia coli F plasmid TraI relaxase Y16F mutant assessed as o... 17630285
Escherichia coli EC50 = 110.0 nM 6.96 Inhibition of conjugate DNA transfer between tetracycline-resistant F plasmid po... 17630285
Escherichia coli EC50 = 9000.0 nM 5.05 Cytotoxicity against tetracycline-resistant F plasmid positive Escherichia coli ... 17630285

Literature References

PubMed DOI Target Context # Activities
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 14
8421279 10.1021/jm00053a017 Mus musculus 10
7818726 10.1021/jm00052a004 Mus musculus 10
22444025 10.1016/j.ejmech.2012.02.047 Rattus norvegicus 8
17630285 10.1073/pnas.0702760104 Escherichia coli 7
8421279 10.1021/jm00053a017 Rattus norvegicus 6
22444025 10.1016/j.ejmech.2012.02.047 Mus musculus 6
22483634 10.1016/j.ejmech.2012.03.020 Hydroxyapatite 5
15658873 10.1021/jm049711o ADMET 5
9871714 10.1016/s0960-894x(98)00167-x Mus musculus 4
17630285 10.1073/pnas.0702760104 Type IV secretion-like conjugative transfer relaxase protein TraI 3
20014752 10.1021/tx900326k Hepatotoxicity 3
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
- 10.1016/0960-894X(95)00299-9 Mus musculus 2
22483634 10.1016/j.ejmech.2012.03.020 No relevant target 2
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 2
18788725 10.1021/jm8003152 Solute carrier family 22 member 1 1
17583333 10.1021/jm061435l Matrix metalloproteinase-9 1

Data from ChEMBL 36 via Core Engine