DETAILS

Basic Information Experimental Physicochemical Property Pharmacokinetic/Toxicokinetic Property Maximum Dosage Drug Property Radar Chart

Basic Information

Drug ID	DDPD01157
Drug Name	Trimetrexate
Molecular Weight	369.4176
Molecular Formula	C19H23N5O3
CAS Number	52128-35-5
SMILES	COC1=CC(NCC2=C(C)C3=C(C=C2)N=C(N)N=C3N)=CC(OC)=C1OC
External Links
	DRUGBANK	DB01157
	T3DB	T3D3000
	PubChem Compound	5583
	Drugs.com	Drugs.com Drug Page

Experimental Physicochemical Property

Property Name	Property Value	Unit	Raw Value	Raw Unit	Reference
Log P	2.55	-	2.55	-	HANSCH,C ET AL. (1995)
Melting Point	216.0	℃	215-217	℃	PhysProp
Water Solubility	31.4	mg/L	31.4	mg/L	DRUGBANK
pKa	8.0	-	8	-	DRUGBANK

Pharmacokinetic/ Toxicokinetic Property

Property Name	Property Value	Unit	Raw Value	Raw Unit	Annotation	Reference
Clearance	2.3	L/h/m2	38±15	ml/min/m2	intravenous injection, IV; Drug combination; AIDS,HIV; Pneumonia, Pneu;	DRUGBANK
Clearance	3.2	L/h/m2	53±41	ml/min/m2	tumor; patients;	DRUGBANK
Clearance	1.8	L/h/m2	30±8	ml/min/m2	tumor; patients;	DRUGBANK
Clearance	0.0462	L/h/kg	0.77	ml/min/kg	intravenous injection, IV; human, homo sapiens;	Human Intravenous Pharmacokinetic Dataset
Volume of Distribution	20.0	L/m2	20±8	L/m2		DRUGBANK
Volume of Distribution	36.9	L/m2	36.9±6	L/m2	tumor; patients;	DRUGBANK
Volume of Distribution	0.77	L/kg	0.77	L/kg	intravenous injection, IV; human, homo sapiens;	Human Intravenous Pharmacokinetic Dataset
Half-life	15.5	h	11-20	h		DRUGBANK
Half-life	17.0	h	17	h	intravenous injection, IV; human, homo sapiens;	Human Intravenous Pharmacokinetic Dataset
Toxicity LD50	62.0	mg/kg	62.0	mg/kg	intravenous injection, IV; mouse;	DRUGBANK
Toxicity LD50	62.0	mg/kg	62.0	mg/kg	intravenous injection, IV; mouse;	T3DB
Eliminate Route	20.0	%	10-30	%	Urinary excretion; Unchanged drug;	DRUGBANK
Protein Binding	95.0	%	95	%		DRUGBANK

Maximum Dosage

Not Available

Drug Property Radar Chart

Note: Center: Q1-1.5*IQR, Edge: Q3+1.5*IQR; Q1: Quantile 1, Q3: Quantile 3, IQR: Q3-Q1