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Compound Detail

CHEMBL3990738

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O=C(O)[C@]1(Cc2cc(Br)cc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3990738
Phase Preclinical
Structure Type MOL
InChI Key ROJRDYDJKQGLRH-VVONHTQRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

540.8
MW (Da)
6.47
ALogP
6
HBA
2
HBD
84.3
PSA (Ų)
0.36
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20BrClFN3O3S
MW 540.84
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.86

Data from ChEMBL 36 via Core Engine