Compound Detail

CHEMBL11762

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Cc1cn(COCCO)c(=O)[nH]c1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL11762
Phase	Preclinical
Structure Type	MOL
InChI Key	ATKOZYBRBNGECU-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

200.2

MW (Da)

-1.19

ALogP

HBA

HBD

84.3

PSA (Å²)

0.60

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

PubMed	DOI	Target Context	# Activities
6092636	10.1021/jm00377a018	L1210	3
1720175	10.1021/jm00115a022	Vero	2
1720175	10.1021/jm00115a022	ADMET	2
6092636	10.1021/jm00377a018	ADMET	2
17218105	10.1016/j.bmc.2006.12.032	Mycobacterium tuberculosis	2
17218105	10.1016/j.bmc.2006.12.032	Pseudomonas aeruginosa	1
17218105	10.1016/j.bmc.2006.12.032	Escherichia coli	1
17218105	10.1016/j.bmc.2006.12.032	Salmonella typhimurium	1
17218105	10.1016/j.bmc.2006.12.032	Streptococcus pneumoniae	1
17218105	10.1016/j.bmc.2006.12.032	Bacillus subtilis	1
17218105	10.1016/j.bmc.2006.12.032	Enterococcus faecalis	1
17218105	10.1016/j.bmc.2006.12.032	Staphylococcus epidermidis	1
17218105	10.1016/j.bmc.2006.12.032	Staphylococcus aureus	1
17218105	10.1016/j.bmc.2006.12.032	Mycobacterium avium	1
17341060	10.1021/jm061445m	ADMET	1
6265637	10.1021/jm00138a022	Thymidine kinase, cytosolic	1
7026787	10.1021/jm00141a012	Escherichia coli	1
6092636	10.1021/jm00377a018	Vesicular stomatitis virus	1
6092636	10.1021/jm00377a018	Vaccinia virus	1
6092636	10.1021/jm00377a018	Human alphaherpesvirus 2	1

Data from ChEMBL 36 via Core Engine