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Compound Detail

CHEMBL452142

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C[N+]1(Cc2ccc(O)cc2)CCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)Nc2ccc(C(=O)OC3CCCCC3)s2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL452142
Phase Preclinical
Structure Type MOL
InChI Key MWLALRQZBOOMRW-YMXZJCMISA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

635.8
MW (Da)
5.31
ALogP
7
HBA
5
HBD
137.0
PSA (Ų)
0.15
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H43N4O6S+
MW 635.81
Aromatic Rings 3
Heavy Atoms 45
NP-Likeness -0.35

Data from ChEMBL 36 via Core Engine