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Compound Detail

CHEMBL2028027

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C=CCO[C@H](c1ccnc2ccc(OC)cc12)[C@@H]1C[C@@H]2CC[N@@+]1(Cc1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1)C[C@@H]2C=C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2028027
Phase Preclinical
Structure Type MOL
InChI Key QVELLXCEDAWQGU-ZIFYWPGDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

597.9
MW (Da)
8.70
ALogP
4
HBA
0
HBD
40.6
PSA (Ų)
0.17
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 C39H53N2O3+
MW 597.86
Aromatic Rings 3
Heavy Atoms 44
NP-Likeness 0.54

Data from ChEMBL 36 via Core Engine