AMDINOCILLIN

Search structure
Trade Names:
Synonyms:
Status: Approved (1984)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: V10579P3QZ

Structure
InChI Key BWWVAEOLVKTZFQ-ISVUSNJMSA-N
Smile CC1(C)S[C@@H]2[C@H](/N=C/N3CCCCCC3)C(=O)N2[C@H]1C(=O)O
InChI
InChI=1S/C15H23N3O3S/c1-15(2)11(14(20)21)18-12(19)10(13(18)22-15)16-9-17-7-5-3-4-6-8-17/h9-11,13H,3-8H2,1-2H3,(H,20,21)/b16-9+/t10-,11+,13-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H23N3O3S
Molecular Weight 325.43
AlogP 1.41
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 73.21
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial penicillin-binding protein 2 inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 3.804
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -2.45-7.48

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 32887-01-7
ChEMBL CHEMBL530
DrugBank DB01163
DrugCentral 1648
EPA CompTox DTXSID3022584
FDA SRS V10579P3QZ
PubChem 36273
SureChEMBL SCHEMBL34388
ZINC ZINC000003830206
CONTENTS