| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2008 | 28 | No |
Popular Name: Aztreonam Aztreonam
Find On: PubMed — Wikipedia — Google
CAS Numbers: 78110-38-0 , 827611-49-4
78110-38-0; AZT; Azactam (TN); Aztreonam (JP16/USP/INN); D00240
78110-38-0; Aztreonam; C06840; Monobactam
78110-38-0; Aztreonam; Prestwick_914
827611-49-4; Aztreonam lysine (USAN); Cayston (TN); D06558
Azactam; CPD-9235; Primbactam; aztreonam
Monobactam, SQ 26776, Squibb 26776
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -3.67 | 0.58 | -115.06 | 3 | 13 | -2 | 207 | 433.424 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 4.29e-02 g/l | DrugBank-approved |
| UniProt Database Links | AMPH_ECOLI | ChEBI |
| Target | Antifection | Selleck Chemicals |
| biological_use | Bactericidal antibiotic | IBScreen Bioactives IBScreen Bioactives |
| mechanism | Inhibits mucopeptide synthesis in the bacterial cell wall | IBScreen Bioactives |
| biological_use | Low acute mammalian toxicity | IBScreen Bioactives |
| Target | Others | Selleck Chemicals |
| biological_use | Shows potent and specific activity against gram-negative bacteria and high beta-lactamase stability | IBScreen Bioactives |
| biological_use | Used clinically (e.g. to treat urinary tract infections) | IBScreen Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| A2RP81-1-B | PER-2 Beta-lactamase (cluster #1 Of 1), Bacterial | Bacteria | 2000 | 0.28 | Binding ≤ 10μM |
| A4ZYU9-1-B | Beta-lactamase ACC-4 (cluster #1 Of 1), Bacterial | Bacteria | 32 | 0.37 | Binding ≤ 10μM |
| B2ZTR6-1-B | Beta-lactamase ADC-33 (cluster #1 Of 1), Bacterial | Bacteria | 7 | 0.41 | Binding ≤ 10μM |
| D6NSM8-1-B | ADC-11 (cluster #1 Of 1), Bacterial | Bacteria | 3000 | 0.28 | Binding ≤ 10μM |
| Q3S5C3-1-B | Efflux Transporter (cluster #1 Of 1), Bacterial | Bacteria | 6 | 0.41 | Binding ≤ 10μM |
| Q48435-1-B | Class C Beta-lactamase CMY-36 (cluster #1 Of 1), Bacterial | Bacteria | 6 | 0.41 | Binding ≤ 10μM |
| Q83TT7-1-B | AmpC (cluster #1 Of 1), Bacterial | Bacteria | 60 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q83TT7_ECOLX | Q83TT7 | AmpC, Ecolx | 60 | 0.36 | Binding ≤ 1μM |
| A4ZYU9_ECOLX | A4ZYU9 | Beta-lactamase ACC-4, Ecolx | 32 | 0.37 | Binding ≤ 1μM |
| B2ZTR6_ACIBA | B2ZTR6 | Beta-lactamase ADC-33, Aciba | 7 | 0.41 | Binding ≤ 1μM |
| Q48435_KLEPN | Q48435 | Class C Beta-lactamase CMY-36, Klepn | 6 | 0.41 | Binding ≤ 1μM |
| Q3S5C3_SALNE | Q3S5C3 | Efflux Transporter, Salne | 6 | 0.41 | Binding ≤ 1μM |
| D6NSM8_ACIBA | D6NSM8 | ADC-11, Aciba | 3000 | 0.28 | Binding ≤ 10μM |
| Q83TT7_ECOLX | Q83TT7 | AmpC, Ecolx | 60 | 0.36 | Binding ≤ 10μM |
| A4ZYU9_ECOLX | A4ZYU9 | Beta-lactamase ACC-4, Ecolx | 32 | 0.37 | Binding ≤ 10μM |
| B2ZTR6_ACIBA | B2ZTR6 | Beta-lactamase ADC-33, Aciba | 7 | 0.41 | Binding ≤ 10μM |
| Q48435_KLEPN | Q48435 | Class C Beta-lactamase CMY-36, Klepn | 6 | 0.41 | Binding ≤ 10μM |
| Q3S5C3_SALNE | Q3S5C3 | Efflux Transporter, Salne | 6 | 0.41 | Binding ≤ 10μM |
| A2RP81_CITFR | A2RP81 | PER-2 Beta-lactamase, Citfr | 2000 | 0.28 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.