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Compound Detail

CHEMBL4117600

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O=C(NO)c1ccc(Cn2c3c(c4ccccc42)C2CCN(C3)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117600
Phase Preclinical
Structure Type MOL
InChI Key FZZRVVJXMHNIMG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
3.11
ALogP
4
HBA
2
HBD
57.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21N3O2
MW 347.42
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.59

Data from ChEMBL 36 via Core Engine