Compound Detail

CHEMBL3735971

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O=c1c(-c2ccccc2)nc2c(Cl)c3ncccc3cc2n1Cc1ccc([N+](=O)[O-])cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3735971
Phase	Preclinical
Structure Type	MOL
InChI Key	DQOJTOQJKNRPOC-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

442.9

MW (Da)

5.22

ALogP

HBA

HBD

90.9

PSA (Å²)

0.22

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

PubMed	DOI	Target Context	# Activities
26479028	10.1016/j.ejmech.2015.10.002	ADMET	3
26479028	10.1016/j.ejmech.2015.10.002	Human immunodeficiency virus 1	1
26479028	10.1016/j.ejmech.2015.10.002	MT4	1
26479028	10.1016/j.ejmech.2015.10.002	Bovine viral diarrhea virus 1	1
26479028	10.1016/j.ejmech.2015.10.002	Yellow fever virus	1
26479028	10.1016/j.ejmech.2015.10.002	NON-PROTEIN TARGET	1
26479028	10.1016/j.ejmech.2015.10.002	Coxsackievirus B5	1
26479028	10.1016/j.ejmech.2015.10.002	Human poliovirus 1 strain Sabin	1
26479028	10.1016/j.ejmech.2015.10.002	Respiratory syncytial virus	1
26479028	10.1016/j.ejmech.2015.10.002	Vesicular stomatitis virus	1
26479028	10.1016/j.ejmech.2015.10.002	Vaccinia virus	1
26479028	10.1016/j.ejmech.2015.10.002	Human alphaherpesvirus 1	1

Data from ChEMBL 36 via Core Engine