semustine 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definition	Drug id	CAS RN
antineoplastic, alkylating agents, (beta-chloroethyl)amine derivatives	4704	13909-09-6

Description:

Molecule

Description

Molfile Inchi Smiles

Synonyms:

semustine
methyl lomustine
Methyl-CCNU

4-Methyl derivative of LOMUSTINE; (CCNU). An antineoplastic agent which functions as an alkylating agent.

Molecular weight: 247.72
Formula: C10H18ClN3O2
CLOGP: 3.27
LIPINSKI: 0
HAC: 5
HDO: 1
TPSA: 61.77
ALOGS: -2.82
ROTB: 4

Drug dosage:

None

ADMET properties:

None

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

Source	Code	Description
ATC	L01AD03	ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS ANTINEOPLASTIC AGENTS ALKYLATING AGENTS Nitrosoureas
MeSH PA	D000477	Alkylating Agents
MeSH PA	D000970	Antineoplastic Agents
MeSH PA	D018906	Antineoplastic Agents, Alkylating
MeSH PA	D009676	Noxae
CHEBI has role	CHEBI:35610	antineoplastic agents
CHEBI has role	CHEBI:50903	carcinogen

Drug Use | Suggest Off label Use Form| |View source of the data|

None

🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation level	Dissociation constant	Type (acidic/basic)
pKa1	13.04	acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

Target	Class	Pharos	UniProt	Action	Type	Activity value (-log[M])	Mechanism action	Bioact source	MoA source
Alpha-2A adrenergic receptor	GPCR	P08913	ADA2A_HUMAN		Ki	5.74		DRUG MATRIX

External reference:

ID	Source
D05822	KEGG_DRUG
CHEBI:6863	CHEBI
CHEMBL12948	ChEMBL_ID
3191	INN_ID
DB13647	DRUGBANK_ID
6YY7T1T567	UNII
53859000	SNOMEDCT_US
C0036637	UMLSCUI
D012673	MESH_DESCRIPTOR_UI
5198	PUBCHEM_CID

Pharmaceutical products:

None