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Compound Detail

CHEMBL530

AMDINOCILLIN
💊 Approved Drug
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💊 Approved Drug
CC1(C)S[C@@H]2[C@H](/N=C/N3CCCCCC3)C(=O)N2[C@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL530
Name AMDINOCILLIN
Phase Approved
Structure Type MOL
InChI Key BWWVAEOLVKTZFQ-ISVUSNJMSA-N
Therapeutic ✓ Yes

Known Names

Amdinocillin Coactin FL 1060 FL-1060 Mecilinam Mecillinam RO 10-9070 RO-10-9070 Selecidin Selexidin
0
Targets
0
Activities
0
Assay Types
4
PK Parameters
20
Publications
10
Known Names
1
Indications
1
Mechanisms

Molecular Properties

325.4
MW (Da)
1.41
ALogP
4
HBA
1
HBD
73.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1984
Availability Discontinued
Chirality Single Enantiomer

Routes of Administration

Parenteral

Flags

Natural Product
USAN Stem -cillin
USAN Year 1981

Extended Properties

Molecular Formula C15H23N3O3S
MW 325.43
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 0.38

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Bacterial penicillin-binding protein 2 inhibitor INHIBITOR Peptidoglycan D,D-transpeptidase MrdA ✓ ✓

Indications

Bacterial Infections

ATC Classification

J01CA11
mecillinam
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE

Pharmacokinetic Data

Parameter Value Units Species
CL 6.3 mL.min-1.kg-1 Homo sapiens
F 10.0 % Homo sapiens
MRT 1.0 hr Homo sapiens
T1/2 1.1 hr Homo sapiens

Literature References

PubMed DOI Target Context # Activities
2002452 10.1021/jm00107a035 Escherichia coli 5
18426954 10.1124/dmd.108.020479 ADMET 4
2002452 10.1021/jm00107a035 Enterobacter cloacae 3
18316518 10.1128/aac.01381-07 Escherichia coli 3
2002452 10.1021/jm00107a035 Klebsiella aerogenes 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 2
22483632 10.1016/j.ejmech.2012.03.008 Escherichia coli 2
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 2
3039137 10.1021/jm00391a032 Escherichia coli 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
2002452 10.1021/jm00107a035 Staphylococcus aureus 2
19947605 10.1021/jm901421c ADMET 1
19947605 10.1021/jm901421c Homo sapiens 1
2002452 10.1021/jm00107a035 Pseudomonas aeruginosa 1
2002452 10.1021/jm00107a035 Proteus mirabilis 1
20547788 10.1128/aac.00220-10 Escherichia coli 1
2002452 10.1021/jm00107a035 Klebsiella pneumoniae 1

Data from ChEMBL 36 via Core Engine