UCSF

ZINC04097225

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 20 No

Popular Name: Imipenem Imipenem

Find On: PubMed — Wikipedia — Google

CAS Numbers: 64221-86-9 , 74431-23-5 , [64221-86-9] , [74431-23-5]

Other Names:

(5R,6S)-3-((2-(Formimidoylamino)ethyl)thio)-6-((R)-1-hydroxyethyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid; (5R,6S)-3-(2-Formimidoylamino-ethylsulfanyl)-6-((R)-1-hydroxy-ethyl)-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid; (5R,6S)-

(5R,6S)-3-((2-Formimidamidoethyl)thio)-6-((R)-1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate

(5R,6S)-3-(2-Formimidoylamino-ethylsulfanyl)-6-((R)-1-hydroxy-ethyl)-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid

(5R,6S)-3-[2-(aminomethylideneamino)ethylsulfanyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

(5R,6S)-6-((R)-1-Hydroxyethyl)-3-(2-(iminomethylamino)ethylthio)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carbonsaeure

(5R,6S)-6-[(1R)-1-hydroxyethyl]-3-({2-[(iminomethyl)amino]ethyl}thio)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

(5R,6S)-6-[(1R)-1-Hydroxyethyl]-3-[[2-[(iminomethyl)amino]ethyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

penem

1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-[(1R)-1-hydroxyethyl]-3-[[2-[(iminomethyl)amino]ethyl]thio]-7-oxo-, (5R,6S)-

64221-86-9

64221-86-9; C06665; Imipenem; Imipenem anhydrous

64221-86-9; D04515; IPM; Imipenem (INN); Imipenem anhydrous

6623-14-9

74431-23-5

74431-23-5; D00206; IPM; Imipenem (USP); Imipenem hydrate (JP16)

74431-23-5; Imipenem; Prestwick_844

AC-528

AC1L2XLB

Ambap64221-86-9

AR-1A6479

BIDD:GT0686

BPBio1_000525

BSPBio_000477

C06665

CHEBI:143934

CHEBI:471744

CHEBI:5879

CHEMBL148

CHEMBL373477

CID104838

CPD-9231

D04515

DAP000459

DB01598

FDA

FDA)

HMS1569H19

HMS2090A15

Imipemide

Imipenem (BAN

Imipenem (INN)

Imipenem anhydrous

Imipenem hydrate

Imipenem monohydrate

Imipenem, Antibiotic for Culture Media Use Only

Imipenem, N-Formimidoyl thienamycin

INN

JAN

KST-1A7214

MFCD00864955

MFCD09753321

MK-0787

N-formimidoyl thienamycin monohydrate

N-Formimidoylthienamycin

NCGC00167958-01

NCGC00167958-02

NCGC00167958-03

NSC717864

Prestwick0_000519

Prestwick1_000519

Prestwick2_000519

Prestwick3_000519

Prestwick_844

SPBio_002398

Tienam

Tienamycin

USAN

USP

USP)

[5R-[5.alpha.,6.alpha.(R*)]]-6-(1-Hydroxyethyl)-3-[[2- [(iminomethyl)amino]ethyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2- ene-2-carboxylic acid monohydrate

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) -0.73 -0.55 -82.15 4 7 0 118 299.352 7 ↓

Vendor Notes

Note Type Comments Provided By
therap antibacterial MicroSource Spectrum
UniProt Database Links OM29_ACIBA; OPDE_PSEAE ChEBI
PUBCHEM_PATENT_ID US5641770; WO1994014811A1 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
A2RP81-1-B PER-2 Beta-lactamase (cluster #1 Of 1), Bacterial Bacteria 60 0.51 Binding ≤ 10μM
D1MIX9-1-B Beta-lactamase GES-13 (cluster #1 Of 1), Bacterial Bacteria 150 0.48 Binding ≤ 10μM
Z50028-2-O Streptococcus Pneumoniae (cluster #2 Of 2), Other Other 5300 0.37 Functional ≤ 10μM
Z50212-1-O Escherichia Coli (cluster #1 Of 7), Other Other 10 0.56 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
D1MIX9_PSEAI D1MIX9 Beta-lactamase GES-13, Pseai 150 0.48 Binding ≤ 1μM
A2RP81_CITFR A2RP81 PER-2 Beta-lactamase, Citfr 60 0.51 Binding ≤ 1μM
D1MIX9_PSEAI D1MIX9 Beta-lactamase GES-13, Pseai 150 0.48 Binding ≤ 10μM
A2RP81_CITFR A2RP81 PER-2 Beta-lactamase, Citfr 60 0.51 Binding ≤ 10μM
Z50212 Z50212 Escherichia Coli 10 0.56 Functional ≤ 10μM
Z50028 Z50028 Streptococcus Pneumoniae 500 0.44 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )