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Compound Detail

CHEMBL3900219

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CCCOc1ccc(C2CN(CCCc3ccccc3)C(=O)N2c2ccc3[nH]cnc3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3900219
Phase Preclinical
Structure Type MOL
InChI Key PEBGOQRITGIEFJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

454.6
MW (Da)
5.97
ALogP
3
HBA
1
HBD
61.5
PSA (Ų)
0.34
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H30N4O2
MW 454.57
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.98

Data from ChEMBL 36 via Core Engine