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Compound Detail

CHEMBL2021737

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O=C(NCCCCCCCCCCNc1c2c(nc3ccccc13)CCCC2)c1cc(=O)c2ccccc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2021737
Phase Preclinical
Structure Type MOL
InChI Key RDTFFLFEGIKFDL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

525.7
MW (Da)
7.18
ALogP
5
HBA
2
HBD
84.2
PSA (Ų)
0.18
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H39N3O3
MW 525.69
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -0.64

Data from ChEMBL 36 via Core Engine