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Compound Detail

CHEMBL4802740

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CCCCCCCCCn1ccc2cc(-c3noc([C@@H]4CCCN4C(=N)N)n3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4802740
Phase Preclinical
Structure Type MOL
InChI Key NGLWMNMJXLRMQJ-NRFANRHFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

422.6
MW (Da)
5.47
ALogP
5
HBA
2
HBD
97.0
PSA (Ų)
0.26
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H34N6O
MW 422.58
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.23

Data from ChEMBL 36 via Core Engine