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Compound Detail

CHEMBL4597633

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O=C(NC1CCc2cccnc21)c1cnn(CCNCCc2nc3ccccc3[nH]2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4597633
Phase Preclinical
Structure Type MOL
InChI Key JXSKPMRFADYUSL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

415.5
MW (Da)
2.40
ALogP
6
HBA
3
HBD
100.5
PSA (Ų)
0.38
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25N7O
MW 415.50
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.60

Data from ChEMBL 36 via Core Engine