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Compound Detail

CHEMBL1727

CEPHALEXIN ANHYDROUS
💊 Approved Drug
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💊 Approved Drug
CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1727
Name CEPHALEXIN ANHYDROUS
Phase Approved
Structure Type MOL
InChI Key ZAIPMKNFIOOWCQ-UEKVPHQBSA-N
Therapeutic ✓ Yes

Known Names

Alsporin Anhydrous cephalexin Carnosporin Cefadros Cefaleksin Cefalexin Cefalexin anhydrous Cefalexina Cefalexine Cephalexin anhydrous Cephamasten Durantel +14 more
6
Targets
16
Activities
3
Assay Types
13
PK Parameters
20
Publications
26
Known Names

Molecular Properties

347.4
MW (Da)
0.44
ALogP
5
HBA
3
HBD
112.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1971
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Oral

Flags

Natural Product
USAN Year 1967

Extended Properties

Molecular Formula C16H17N3O4S
MW 347.40
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.27

Activity Summary

Ki 10 meas. best 4.45
IC50 4 meas. best 4.38
EC50 2 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bacillus subtilis
CHEMBL359
 EC50 6.6 6.6 250.0 1
Staphylococcus aureus
CHEMBL352
 EC50 6.11 6.11 770.0 1
Unchecked
CHEMBL612545
 Ki 4.45 4.45 35200.0 1
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 4.38 4.38 41600.0 1
Solute carrier family 15 member 2
CHEMBL3325
 Ki 4.31 4.215 49000.0 2
Solute carrier family 15 member 2
CHEMBL1743125
 Ki 4.17 4.1367 68200.0 3

Pharmacokinetic Data

Parameter Value Units Species
CL 3.9 mL.min-1.kg-1 Homo sapiens
CL 3.9 mL.min-1.kg-1 Homo sapiens
CL 0.4 mL.min-1.kg-1 Homo sapiens
CL 3.9 mL.min-1.kg-1 Homo sapiens
CL 1.07 mL.min-1.kg-1 Rattus norvegicus
CL 1.408 mL.min-1.kg-1 Rattus norvegicus
F 90.0 % Homo sapiens
F 90.0 % Homo sapiens
Fu 0.85 - Homo sapiens
Fu 0.85 - Homo sapiens
MRT 0.89 hr Homo sapiens
T1/2 0.08333 hr -
T1/2 0.57 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Bacillus subtilis EC50 = 250.0 nM 6.6 Antibacterial activity against Bacillus subtilis NCIM 2079 assessed as reduction... 35696863
Staphylococcus aureus EC50 = 770.0 nM 6.11 Antibacterial activity against Staphylococcus aureus NCIM 2010 assessed as reduc... 35696863
Unchecked Ki = 35200.0 nM 4.45 Affinity against Renal peptide transporter PepT2 in SKPT cells was measured by t... 14761208
NON-PROTEIN TARGET IC50 = 41600.0 nM 4.38 Concentration required to inhibit the maximum [14C]Gly-Sar uptake by Renal pepti... 14761208
Solute carrier family 15 member 2 Ki = 49000.0 nM 4.31 TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT2-expressing LLC-PK1 cells 9374833
Solute carrier family 15 member 2 Ki = 68200.0 nM 4.17 TP_TRANSPORTER: inhibition of Gly-Sar uptake in SKPT cells 7592745
Solute carrier family 15 member 2 Ki = 75000.0 nM 4.12 Binding affinity to human PepT2 in SKTP cells 21741846
Solute carrier family 15 member 2 Ki = 75857.76 nM 4.12 Binding affinity to human PepT2 in SKTP cells 21741846
Solute carrier family 15 member 2 Ki = 75000.0 nM 4.12 TP_TRANSPORTER: inhibition of Gly-Sar uptake (pH6.0) in SKPT cells 15567297

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885881 Rattus norvegicus 320
20211890 10.1128/aac.01325-09 Staphylococcus aureus 20
18180352 10.1128/aac.01094-07 Proteus mirabilis 19
16472241 10.2174/1570163043334794 Hepatotoxicity 18
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 14
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
894680 10.1021/jm00218a019 Blood 11
27144688 10.1021/acs.jmedchem.5b01833 No relevant target 9
19289525 10.1128/aac.01135-08 Staphylococcus aureus 9
3172134 10.1021/jm00118a022 Mus musculus 9
27144688 10.1021/acs.jmedchem.5b01833 Mycobacterium tuberculosis 9
20070106 10.1021/jm901371v Homo sapiens 8
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
17825955 10.1016/j.ejmech.2007.06.013 Staphylococcus aureus 7
19027993 10.1016/j.ejmech.2008.10.006 Staphylococcus aureus 7
2933519 10.1021/jm00150a022 Staphylococcus aureus 7
894680 10.1021/jm00218a019 Staphylococcus aureus 6
3877809 10.1021/jm00150a023 Mus musculus 6
17825955 10.1016/j.ejmech.2007.06.013 Salmonella typhimurium 5
894680 10.1021/jm00218a019 Escherichia coli 5

Data from ChEMBL 36 via Core Engine