Compound Detail

CHEMBL1630263

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C[C@]12CCCC(OC(=O)c3ccccc3)=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1630263
Phase	Preclinical
Structure Type	MOL
InChI Key	SOAKSQSCHWRAQX-NRUSOEPOSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

392.5

MW (Da)

6.09

ALogP

HBA

HBD

43.4

PSA (Å²)

0.57

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 6.19

Ki 1 meas. best 7.16

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Aromatase CHEMBL1978	Ki	7.16	7.16	70.0	1
Aromatase CHEMBL1978	IC50	6.19	6.19	639.7	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Aromatase	Ki	=	70.0	nM	7.16	Competitive inhibition of human aromatase extracted from placental microsomes af...	26469743
Aromatase	IC50	=	640.0	nM	6.19	Inhibition of human placental aromatase	20926163
Aromatase	IC50	=	639.73	nM	6.19	Inhibition of aromatase in human placental microsomes using [1beta-3H]AD as subs...	33017749

PubMed	DOI	Target Context	# Activities
20926163	10.1016/j.ejmech.2010.09.011	Aromatase	2
26469743	10.1016/j.ejmech.2015.09.038	Aromatase	1
33017749	10.1016/j.ejmech.2020.112845	Aromatase	1

Data from ChEMBL 36 via Core Engine