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Compound Detail

CHEMBL4804007

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CNc1cc(F)cc2c(NCCCN)c(C(=O)Nc3ccc(C(=O)O)cc3)c(=O)[nH]c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4804007
Phase Preclinical
Structure Type MOL
InChI Key RNUUNKSRXQMFEG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

427.4
MW (Da)
2.42
ALogP
6
HBA
6
HBD
149.3
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22FN5O4
MW 427.44
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.98

Data from ChEMBL 36 via Core Engine