Compound Detail

CHEMBL5909453

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Cc1c2c(nn1C)CN(C)S(=O)(=O)CCCn1c(C(=O)O)c(CCCOc3cccc4cc(F)ccc34)c3ccc(F)c-2c31

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5909453
Phase	Preclinical
Structure Type	MOL
InChI Key	SFAUIQOMBNEQSP-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

622.7

MW (Da)

5.66

ALogP

HBA

HBD

106.7

PSA (Å²)

0.25

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 3 meas. best 9.05

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Induced myeloid leukemia cell differentiation protein Mcl-1/Phorbol-12-myristate-13-acetate-induced protein 1 CHEMBL6066576	IC50	9.05	8.4867	0.9	3

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Induced myeloid leukemia cell differentiation protein Mcl-1/Phorbol-12-myristate-13-acetate-induced protein 1	IC50	=	0.89	nM	9.05	Protein-Protein Interaction Assay: MCL-1/Noxa BH3 Peptide (MCL-1 Assay): From th...	-
Induced myeloid leukemia cell differentiation protein Mcl-1/Phorbol-12-myristate-13-acetate-induced protein 1	IC50	=	1.7	nM	8.77	Protein-Protein Interaction Assay: MCL-1/Noxa BH3 Peptide (MCL-1 Assay): From th...	-
Induced myeloid leukemia cell differentiation protein Mcl-1/Phorbol-12-myristate-13-acetate-induced protein 1	IC50	=	23.0	nM	7.64	Protein-Protein Interaction Assay: MCL-1/Noxa BH3 Peptide (MCL-1 Assay): From th...	-

Data from ChEMBL 36 via Core Engine