Compound Detail

CHEMBL3471855

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CN(C)C(=O)N1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@H]2C1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3471855
Phase	Preclinical
Structure Type	MOL
InChI Key	YGNDKVIYVKTWHH-OCCSQVGLSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

305.4

MW (Da)

1.40

ALogP

HBA

HBD

43.9

PSA (Å²)

0.83

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL3988442	Unchecked	5
-	10.6019/CHEMBL3988442	Trypanosoma cruzi	4
-	10.6019/CHEMBL3988442	Mycobacterium tuberculosis	2
-	10.6019/CHEMBL3988442	Histidine--tRNA ligase	2
-	10.6019/CHEMBL3988442	Tyrosyl-tRNA synthetase, putative	2
32078764	10.1021/acsinfecdis.9b00482	Plasmodium falciparum	2
32078764	10.1021/acsinfecdis.9b00482	Plasmodium berghei	2
-	10.6019/CHEMBL3988442	Protein translocase subunit SecA	1
-	10.6019/CHEMBL3988442	Proteasome subunit beta	1
-	10.6019/CHEMBL3988442	Sialic acid-binding Ig-like lectin 9	1
32078764	10.1021/acsinfecdis.9b00482	HepG2	1
-	10.6019/CHEMBL3988442	Arginase-2, mitochondrial	1
-	10.6019/CHEMBL3988442	Coenzyme A biosynthesis bifunctional protein CoaBC	1
-	10.6019/CHEMBL3988442	Lysine--tRNA ligase	1
-	10.6019/CHEMBL3988442	Aspartate--tRNA(Asp/Asn) ligase	1
-	10.6019/CHEMBL3988442	Chromo domain-containing protein 1	1
-	10.6019/CHEMBL3988442	AMP-activated protein kinase, AMPK	1
-	10.6019/CHEMBL3988442	Polyketide synthase Pks13	1
-	10.6019/CHEMBL3988442	Ubiquitin-activating enzyme e1, putative	1
-	10.6019/CHEMBL3988442	Methionyl-tRNA synthetase, putative	1

Data from ChEMBL 36 via Core Engine