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Compound Detail

CHEMBL5028383

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O=C(N[C@@H](CC1CC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)OCCc1cccc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5028383
Phase Preclinical
Structure Type MOL
InChI Key FPXMZZWNZPMKPB-PIJSLZJWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

532.0
MW (Da)
0.99
ALogP
7
HBA
5
HBD
171.1
PSA (Ų)
0.25
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H30ClN3O8S
MW 532.02
Aromatic Rings 1
Heavy Atoms 35
NP-Likeness 0.02

Data from ChEMBL 36 via Core Engine