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Compound Detail

CHEMBL1187227

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N#C[C@@H]1CCCN1C(=O)[C@@H](N)CCC(=O)N1CCc2nc(-c3ccc(F)cc3)sc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187227
Phase Preclinical
Structure Type MOL
InChI Key KZUMVCZJLNJWHF-IRXDYDNUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

441.5
MW (Da)
2.46
ALogP
6
HBA
1
HBD
103.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24FN5O2S
MW 441.53
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.44

Data from ChEMBL 36 via Core Engine