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Compound Detail

CHEMBL4802622

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N=C(NCc1ccco1)Nc1ccc(Cc2ccc(NC3=NCCN3)nc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4802622
Phase Preclinical
Structure Type MOL
InChI Key FEIXCWKYAOFDPF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

389.5
MW (Da)
2.77
ALogP
6
HBA
5
HBD
110.4
PSA (Ų)
0.33
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23N7O
MW 389.46
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.85

Data from ChEMBL 36 via Core Engine