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Compound Detail

CHEMBL4650978

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CC1(C)CC[N+](C)(C)c2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4650978
Phase Preclinical
Structure Type MOL
InChI Key CJEJSIUDCFUBGH-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
4.49
ALogP
3
HBA
2
HBD
84.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25N4O3+
MW 369.45
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.55

Data from ChEMBL 36 via Core Engine