PULRODEMSTAT BESILATE

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Synonyms:	Cc-90011 CC-90011 Pulrodemstat besilate
Status:	Phase 2
Entry Type:	Small molecule
Molecule Category:	UNKNOWN

Structure


InChI Key	AWZCBGWZNHQCIZ-UHFFFAOYSA-N
Smile	COc1ccc(-c2c(-c3ccc(C#N)c(F)c3)nc(N3CCC(N)CC3)n(C)c2=O)cc1F.O=S(=O)(O)c1ccccc1
InChI	InChI=1S/C24H23F2N5O2.C6H6O3S/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31;7-10(8,9)6-4-2-1-3-5-6/h3-6,11-12,17H,7-10,28H2,1-2H3;1-5H,(H,7,8,9)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C30H29F2N5O5S
Molecular Weight	609.66
AlogP	3.2
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	97.17
Molecular species	BASE
Aromatic Rings	3.0
Heavy Atoms	33.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Epigenetic regulator Eraser Lysine demethylase Lysine-specific demethylase	3-6	0-7	-	-	-
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel	-	3400	-	-	59

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Neoplasms	2	D009369	ClinicalTrials
Leukemia	1	D007938	ClinicalTrials
Prostatic Neoplasms	1	D011471	ClinicalTrials
Small Cell Lung Carcinoma	1	D055752	ClinicalTrials
Lymphoma, Non-Hodgkin	1	D008228	ClinicalTrials

Cross References

Resources	Reference
ChEMBL	CHEMBL4650360

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