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Compound Detail

CHEMBL3819716

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O=c1c(-c2nnn[nH]2)cccn1C[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3819716
Phase Preclinical
Structure Type MOL
InChI Key OOGKDVZUYAQBBW-LRDDRELGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

404.8
MW (Da)
1.80
ALogP
7
HBA
2
HBD
97.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18ClFN6O2
MW 404.83
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.32

Data from ChEMBL 36 via Core Engine