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Compound Detail

CHEMBL4595594

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O=C(NCc1ccccn1)c1coc(CCNCCc2nc3ccccc3[nH]2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4595594
Phase Preclinical
Structure Type MOL
InChI Key LNBJGZJCXVDQPD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

390.4
MW (Da)
2.25
ALogP
6
HBA
3
HBD
108.7
PSA (Ų)
0.38
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N6O2
MW 390.45
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.82

Data from ChEMBL 36 via Core Engine