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Compound Detail

CHEMBL2021697

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COc1ccc2oc(C(=O)NCCCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)cc(=O)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2021697
Phase Preclinical
Structure Type MOL
InChI Key UTKKDZJOGSGJSU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

555.7
MW (Da)
7.19
ALogP
6
HBA
2
HBD
93.5
PSA (Ų)
0.16
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H41N3O4
MW 555.72
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -0.64

Data from ChEMBL 36 via Core Engine