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Compound Detail

CHEMBL2171277

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Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3cccnc23)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2171277
Phase Preclinical
Structure Type MOL
InChI Key DWDDBDJWOXJEMQ-LJQANCHMSA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
5
Publications
0
Known Names

Molecular Properties

409.5
MW (Da)
3.64
ALogP
4
HBA
1
HBD
79.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N3O3S
MW 409.51
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -2.09

Pharmacokinetic Data

Parameter Value Units Species
CL 150.0 uL.min-1.(10^6cells)-1 Rattus norvegicus
CL 150.0 mL.min-1.g-1 Homo sapiens

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3301361 ADMET 3
23043370 10.1021/jm300612z Respiratory syncytial virus 2
23043370 10.1021/jm300612z Unchecked 1
23043370 10.1021/jm300612z HEp-2 1
- 10.6019/CHEMBL3301361 No relevant target 1

Data from ChEMBL 36 via Core Engine