Compound Detail

CHEMBL351496

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CC1=C(CC(=O)[O-])c2cc(F)ccc2/C1=C\c1ccc(C)o1.[Na+]

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL351496
Phase	Preclinical
Structure Type	MOL
InChI Key	SKLNFQRWTMXAES-ZTXYIFKNSA-M
Parent Compound	CHEMBL159846
Active Moiety	CHEMBL159846

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

298.3

MW (Da)

4.53

ALogP

HBA

HBD

50.4

PSA (Å²)

0.91

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 5.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
REF CHEMBL614853	IC50	5.0	5.0	10000.0	1
MDCK CHEMBL614068	IC50	4.22	4.22	60000.0	2
NIH3T3 CHEMBL614822	IC50	4.22	4.22	60000.0	1
SW480 CHEMBL612544	IC50	4.1	4.1	80000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
REF	IC50	=	10000.0	nM	5.0	Anti-proliferative activity was evaluated by its ability to inhibit proliferatio...	11844707
NIH3T3	IC50	=	60000.0	nM	4.22	Anti-proliferative activity was evaluated by its ability to inhibit proliferatio...	11844707
MDCK	IC50	=	60000.0	nM	4.22	Anti-proliferative activity was evaluated by its ability to inhibit proliferatio...	11844707
MDCK	IC50	=	60000.0	nM	4.22	Anti-proliferative activity was evaluated by its ability to inhibit proliferatio...	11844707
SW480	IC50	=	80000.0	nM	4.1	Anti-proliferative activity was evaluated by its ability to inhibit proliferatio...	11844707

PubMed	DOI	Target Context	# Activities
11844707	10.1016/s0960-894x(01)00839-3	MDCK	2
11844707	10.1016/s0960-894x(01)00839-3	NIH3T3	1
11844707	10.1016/s0960-894x(01)00839-3	REF	1
11844707	10.1016/s0960-894x(01)00839-3	SW480	1

Data from ChEMBL 36 via Core Engine