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Compound Detail

CHEMBL2021717

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O=C(NCCCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)c1cc(=O)c2cc(O)ccc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2021717
Phase Preclinical
Structure Type MOL
InChI Key DULLYLROEIJODI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

576.1
MW (Da)
7.54
ALogP
6
HBA
3
HBD
104.5
PSA (Ų)
0.14
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 C33H38ClN3O4
MW 576.14
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -0.57

Data from ChEMBL 36 via Core Engine