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Compound Detail

CHEMBL2021741

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O=C(NCCCCCCCCNc1c2c(nc3ccccc13)CCCC2)c1cc(=O)c2ccccc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2021741
Phase Preclinical
Structure Type MOL
InChI Key UNUCEOJHNSJBBG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

497.6
MW (Da)
6.40
ALogP
5
HBA
2
HBD
84.2
PSA (Ų)
0.23
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H35N3O3
MW 497.64
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -0.68

Data from ChEMBL 36 via Core Engine