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Compound Detail

CHEMBL5499004

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O=C(N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1)c1cc2c(s1)OCCn1ncc(Br)c1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5499004
Phase Preclinical
Structure Type MOL
InChI Key YEYGCAOMGAHTST-YVEFUNNKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

509.4
MW (Da)
3.92
ALogP
6
HBA
2
HBD
68.2
PSA (Ų)
0.56
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19BrF2N4O2S
MW 509.38
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.11

Data from ChEMBL 36 via Core Engine