Compound Detail

CHEMBL1201001

MECHLORETHAMINE HYDROCHLORIDE

💊 Approved Drug

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💊 Approved Drug

CN(CCCl)CCCl.Cl

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1201001
Name	MECHLORETHAMINE HYDROCHLORIDE
Phase	Approved
Structure Type	MOL
InChI Key	QZIQJVCYUQZDIR-UHFFFAOYSA-N
Therapeutic	✓ Yes
Parent Compound	CHEMBL427
Active Moiety	CHEMBL427

Known Names

Chlormethine hcl Chlormethine hydrochloride Chlormethini hydrochloridum Mechlorethamine hcl Mechlorethamine hydrochloride Mustargen NSC-762 Valchlor

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

156.1

MW (Da)

1.40

ALogP

HBA

HBD

3.2

PSA (Å²)

0.56

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
First Approval	1949
Availability	Prescription
Chirality	Achiral

Routes of Administration

Parenteral Topical

Flags

Black Box Warning

Extended Properties

Molecular Formula	C5H12Cl3N
MW	192.52
Aromatic Rings	0
Heavy Atoms	8
NP-Likeness	-0.71

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
DNA inhibitor	INHIBITOR	DNA	✓	✓

Indications

Lymphoma, T-Cell, Cutaneous Lymphoma Central Nervous System Neoplasms Mycosis Fungoides Skin Diseases

Drug Warnings

Black Box Warning

General Warning

Country: United States

Activity Summary

IC50 7 meas. best 6.86

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	6.86	5.8643	137.5	7

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	137.5	nM	6.86	PubChem BioAssay. Increased HeLa cells in S-phase-IC50. (Class of assay: confi...	-
Unchecked	IC50	=	510.1	nM	6.29	PubChem BioAssay. Decreased HeLa cell count-IC50. (Class of assay: confirmator...	-
Unchecked	IC50	=	781.0	nM	6.11	PubChem BioAssay. Increased HeLa cells with 2N DNA content-IC50. (Class of ass...	-
Unchecked	IC50	=	1606.9	nM	5.79	PubChem BioAssay. alkaline phosphatase stimulation in WNT3A conditioned C2C12 ce...	-
Unchecked	IC50	=	1926.8	nM	5.71	PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture CD31-stained tube area de...	-
Unchecked	IC50	=	6243.5	nM	5.21	PubChem BioAssay. nuclear beta catenin stimulation in WNT3A conditioned C2C12 ce...	-
Unchecked	IC50	=	8310.85	nM	5.08	PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture nuclear area decrease (vi...	-

Data from ChEMBL 36 via Core Engine