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Compound Detail

CHEMBL3547180

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c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N/CC23CCCN2CCC3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3547180
Phase Preclinical
Structure Type MOL
InChI Key MGABRKCJFDNHLK-KGGMANCPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

485.6
MW (Da)
6.40
ALogP
5
HBA
1
HBD
45.5
PSA (Ų)
0.29
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H31N5
MW 485.64
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.71

Data from ChEMBL 36 via Core Engine