Compound Detail

CHEMBL24808

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

CC(C)NC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NC(C)C)cc3)o2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL24808
Phase	Preclinical
Structure Type	MOL
InChI Key	MDEXIFUTWBIVQM-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

388.5

MW (Da)

5.26

ALogP

HBA

HBD

84.9

PSA (Å²)

0.34

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 5.19

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
A2780 CHEMBL614004	IC50	5.19	4.805	6400.0	2
SK-OV-3 CHEMBL614925	IC50	4.69	4.69	20500.0	1
CH1 CHEMBL614455	IC50	4.35	4.35	44500.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
A2780	IC50	=	6400.0	nM	5.19	The compound was tested for cytotoxic potency against A2780R human tumor cell li...	-
SK-OV-3	IC50	=	20500.0	nM	4.69	The compound was tested for cytotoxic potency against SKOV-3 human tumor cell li...	-
A2780	IC50	=	38000.0	nM	4.42	The compound was tested for cytotoxic potency against A2780 human tumor cell lin...	-
CH1	IC50	=	44500.0	nM	4.35	The compound was tested for cytotoxic potency against CH1 human tumor cell lines...	-

PubMed	DOI	Target Context	# Activities
9438029	10.1021/jm970570i	Rattus norvegicus	4
9438029	10.1021/jm970570i	ADMET	4
9748362	10.1021/jm980230c	Rattus norvegicus	4
9748362	10.1021/jm980230c	ADMET	4
-	10.1016/S0960-894X(97)00229-1	A2780	2
17499888	10.1016/j.ejmech.2007.03.009	Pneumocystis carinii	2
17499888	10.1016/j.ejmech.2007.03.009	Rattus norvegicus	2
-	10.1016/S0960-894X(97)00229-1	CH1	1
-	10.1016/S0960-894X(97)00229-1	SK-OV-3	1
-	10.1016/S0960-894X(97)00229-1	Unchecked	1
15509172	10.1021/jm049491e	Nucleic Acid	1

Data from ChEMBL 36 via Core Engine