Compound Detail

CHEMBL3186849

CPI 613

🧪 Phase III

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🧪 Phase III

O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3186849
Name	CPI 613
Phase	Phase III
Structure Type	MOL
InChI Key	ZYRLHJIMTROTBO-UHFFFAOYSA-N

Known Names

Cpi 613 Cpi-613 CPI613 Devimistat

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Molecular Properties

388.6

MW (Da)

6.26

ALogP

HBA

HBD

37.3

PSA (Å²)

0.41

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Racemic

Flags

Natural Product

Extended Properties

Molecular Formula	C22H28O2S2
MW	388.60
Aromatic Rings	2
Heavy Atoms	26
NP-Likeness	-0.35

Indications

Leukemia, Myeloid, Acute Pancreatic Neoplasms Carcinoma, Pancreatic Ductal Leukemia Lymphoma Lymphoma, Non-Hodgkin Myelodysplastic Syndromes Neoplasms Biliary Tract Neoplasms Colorectal Neoplasms Sarcoma

Literature References

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL4495565	SARS-CoV-2	2
-	10.6019/CHEMBL4651402	SARS-CoV-2	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
-	10.21203/rs.3.rs-23951/v1	SARS-CoV-2	1
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	1
37939862	10.1016/j.bmcl.2023.129545	HepG2	1
37939862	10.1016/j.bmcl.2023.129545	K562	1
37939862	10.1016/j.bmcl.2023.129545	MCF7	1
37939862	10.1016/j.bmcl.2023.129545	MDA-MB-231	1
37939862	10.1016/j.bmcl.2023.129545	A549	1
37939862	10.1016/j.bmcl.2023.129545	PANC-1	1

Data from ChEMBL 36 via Core Engine