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Compound Detail

CHEMBL4110411

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CCN(CC)c1ccc([C@H]2CNC(=O)N2c2ccc3[nH]cnc3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4110411
Phase Preclinical
Structure Type MOL
InChI Key YUVOZTFCKZHKKL-LJQANCHMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
3.68
ALogP
3
HBA
2
HBD
64.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23N5O
MW 349.44
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.18

Data from ChEMBL 36 via Core Engine