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Compound Detail

CHEMBL1188966

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CN(C)c1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1188966
Phase Preclinical
Structure Type MOL
InChI Key NWUCPBLQECHRFK-QAQDUYKDSA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
1
Publications
0
Known Names

Molecular Properties

616.5
MW (Da)
5.55
ALogP
7
HBA
2
HBD
96.5
PSA (Ų)
0.33
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29BrF3N5O3S
MW 616.50
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -1.34

Pharmacokinetic Data

Parameter Value Units Species
CL 50.12 uL.min-1.(10^6cells)-1 Rattus norvegicus
CL 117.49 mL.min-1.g-1 Homo sapiens

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3301361 ADMET 3

Data from ChEMBL 36 via Core Engine