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Compound Detail

CHEMBL5500043

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O=C(N[C@@H]1CNCC[C@H]1c1cc(F)cc(F)c1)c1cc2c(s1)CCCn1ncc(Br)c1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5500043
Phase Preclinical
Structure Type MOL
InChI Key IBWDJNVWCDSMLK-MAUKXSAKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

507.4
MW (Da)
4.47
ALogP
5
HBA
2
HBD
59.0
PSA (Ų)
0.55
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21BrF2N4OS
MW 507.40
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.13

Data from ChEMBL 36 via Core Engine