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Compound Detail

CHEMBL3139526

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Cn1c(-c2cn([C@H]3CCNC[C@@H]3F)nn2)nc(-c2ccc(F)cc2)c1-c1ccncc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3139526
Phase Preclinical
Structure Type MOL
InChI Key DWYHSCDYFORXBK-HKUYNNGSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

421.5
MW (Da)
3.42
ALogP
7
HBA
1
HBD
73.5
PSA (Ų)
0.55
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 C22H21F2N7
MW 421.46
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.14

Data from ChEMBL 36 via Core Engine