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Compound Detail

CHEMBL4596336

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O=C(NCc1ncccc1F)c1cnn(CCNCCc2nc3ccccc3[nH]2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596336
Phase Preclinical
Structure Type MOL
InChI Key BTHINCYFGXYZIK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

407.4
MW (Da)
2.06
ALogP
6
HBA
3
HBD
100.5
PSA (Ų)
0.37
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 C21H22FN7O
MW 407.45
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -2.20

Data from ChEMBL 36 via Core Engine