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Compound Detail

CHEMBL3990377

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O=C(O)[C@]1(Cc2cccc(Nc3cc[nH]n3)n2)CC[C@@H](Oc2cccc(C(F)(F)F)c2F)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3990377
Phase Preclinical
Structure Type MOL
InChI Key IABSWKZENVKESR-VVONHTQRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

478.4
MW (Da)
5.34
ALogP
5
HBA
3
HBD
100.1
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22F4N4O3
MW 478.45
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.75

Data from ChEMBL 36 via Core Engine