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Compound Detail

CHEMBL3139411

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O=C(O)[C@@H]1C[C@H]2C[C@@H](Oc3ccc(F)cc3-c3nnn[nH]3)CC[C@H]2CN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3139411
Phase Preclinical
Structure Type MOL
InChI Key QHKRLCNCPWEBNH-QPPBUOOMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
1.62
ALogP
6
HBA
3
HBD
113.0
PSA (Ų)
0.76
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 C17H20FN5O3
MW 361.38
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.23

Data from ChEMBL 36 via Core Engine