Compound Detail

CHEMBL283871

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Oc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)N(CCCl)CC3

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL283871
Phase	Preclinical
Structure Type	MOL
InChI Key	RMKWDBUEXHJPRZ-CQSZACIVSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

315.8

MW (Da)

3.46

ALogP

HBA

HBD

43.7

PSA (Å²)

0.66

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 6.41

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Dopamine receptor CHEMBL2093868	IC50	6.41	6.41	394.0	1
Dopamine receptor CHEMBL2096905	IC50	5.1	5.1	8000.0	1

Parameter	Value	Units	Species
T1/2	3.2	hr	-
T1/2	2.35	hr	-
T1/2	1.783	hr	-
T1/2	1.183	hr	-
T1/2	0.75	hr	-
T1/2	0.65	hr	-
T1/2	0.55	hr	-
T1/2	0.4833	hr	-
T1/2	0.4667	hr	-
T1/2	0.4	hr	-
T1/2	0.3667	hr	-

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Dopamine receptor	IC50	=	394.0	nM	6.41	Inhibition of [3H]apomorphine binding to calf caudate membrane preparation (p4)	7310821
Dopamine receptor	IC50	=	8000.0	nM	5.1	Compound was evaluated for the competitive binding with [3H]spiperone binding to...	6737423

PubMed	DOI	Target Context	# Activities
6620296	10.1021/jm00364a003	ADMET	22
7310821	10.1021/jm00144a014	Dopamine receptor	2
6737423	10.1021/jm00372a019	Dopamine receptor	2
7310821	10.1021/jm00144a014	Adenylate cyclase	1

Data from ChEMBL 36 via Core Engine