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Compound Detail

CHEMBL4650719

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CNC(=O)c1cc(C(=O)NCCC2CCCNC2)cn(Cc2ccccc2)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4650719
Phase Preclinical
Structure Type MOL
InChI Key UHHOMRXWBRXYNV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

396.5
MW (Da)
1.38
ALogP
5
HBA
3
HBD
92.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28N4O3
MW 396.49
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.03

Data from ChEMBL 36 via Core Engine