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Compound Detail

CHEMBL1789532

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COc1ccc(CN2CCN(C(C)c3ccc(C(=O)N=C(N)N)cc3)CC2)c(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789532
Phase Preclinical
Structure Type MOL
InChI Key CSFUDIPPGVWCSP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

455.6
MW (Da)
2.00
ALogP
6
HBA
2
HBD
115.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H33N5O4
MW 455.56
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.90

Data from ChEMBL 36 via Core Engine