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Compound Detail

CHEMBL4117731

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CN1C(=O)C2CN(Cc3c2c2cc(OCCN4CCOCC4)ccc2n3Cc2ccc(C(=O)NO)cc2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117731
Phase Preclinical
Structure Type MOL
InChI Key ZWUVJZRDISJVOH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

533.6
MW (Da)
2.01
ALogP
8
HBA
2
HBD
116.6
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H31N5O6
MW 533.59
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -1.07

Data from ChEMBL 36 via Core Engine