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Compound Detail

CHEMBL3781777

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CC(C)c1cccc(C(C)C)c1NNC(=O)c1ccc(C(C)(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3781777
Phase Preclinical
Structure Type MOL
InChI Key CUTKYTFHLQPUGZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

352.5
MW (Da)
5.99
ALogP
2
HBA
2
HBD
41.1
PSA (Ų)
0.65
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H32N2O
MW 352.52
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.08

Literature References

PubMed DOI Target Context # Activities
26885567 10.1021/acs.jmedchem.5b01803 Enterovirus A71 2
26885567 10.1021/acs.jmedchem.5b01803 RD 1
26885567 10.1021/acs.jmedchem.5b01803 Vero 1

Data from ChEMBL 36 via Core Engine