Compound Detail

CHEMBL1200701

DICLOXACILLIN SODIUM

💊 Approved Drug

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💊 Approved Drug

Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-].O.[Na+]

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1200701
Name	DICLOXACILLIN SODIUM
Phase	Approved
Structure Type	MOL
InChI Key	SIGZQNJITOWQEF-VICXVTCVSA-M
Therapeutic	✓ Yes
Parent Compound	CHEMBL893
Active Moiety	CHEMBL893

Known Names

Dicloxacillin sodium Dicloxacillin sodium hydrate Dicloxacillin sodium monohydrate Dicloxacillin sodium salt monohydrate Dicloxacillinum natricum Dycill Dynapen NSC-756726 P-1011 Pathocil Sodium dicloxacillin Sodium dicloxacillin monohydrate

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

470.3

MW (Da)

3.20

ALogP

HBA

HBD

112.7

PSA (Å²)

0.66

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
First Approval	1968
Availability	Prescription
Chirality	Single Enantiomer

Routes of Administration

Oral

Flags

Natural Product

USAN Stem	-cillin
USAN Year	1968

Extended Properties

Molecular Formula	C19H18Cl2N3NaO6S
MW	510.33
Aromatic Rings	2
Heavy Atoms	30
NP-Likeness	-0.31

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Penicillin-binding protein inhibitor	INHIBITOR	Penicillin-binding protein	✓	✓

Indications

Infections Osteomyelitis

Activity Summary

IC50 2 meas. best 6.17

Ki 2 meas. best 6.43

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Solute carrier organic anion transporter family member 1B1 CHEMBL1697668	Ki	6.43	6.43	370.0	1
Solute carrier organic anion transporter family member 1B1 CHEMBL1697668	IC50	6.17	6.17	676.1	1
Solute carrier organic anion transporter family member 1B3 CHEMBL1743121	Ki	5.81	5.81	1550.0	1
Solute carrier organic anion transporter family member 1B3 CHEMBL1743121	IC50	5.7	5.7	1995.3	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Solute carrier organic anion transporter family member 1B1	Ki	=	370.0	nM	6.43	Ki values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO cells	23571415
Solute carrier organic anion transporter family member 1B1	IC50	=	676.08	nM	6.17	pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO ce...	23571415
Solute carrier organic anion transporter family member 1B3	Ki	=	1550.0	nM	5.81	Ki values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO cells	23571415
Solute carrier organic anion transporter family member 1B3	IC50	=	1995.26	nM	5.7	pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO ce...	23571415

Literature References

PubMed	DOI	Target Context	# Activities
23571415	10.1124/mol.112.084152	Solute carrier organic anion transporter family member 1B3	3
23571415	10.1124/mol.112.084152	Solute carrier organic anion transporter family member 1B1	3
-	10.6019/CHEMBL4495565	SARS-CoV-2	2
20553011	10.1021/tx1000865	Hepatotoxicity	1
20843939	10.1124/dmd.110.035113	Hepatotoxicity	1
-	10.1101/2020.04.03.023846	SARS-CoV-2	1
-	10.21203/rs.3.rs-23951/v1	SARS-CoV-2	1
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	1

Data from ChEMBL 36 via Core Engine