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Compound Detail

CHEMBL1186229

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CO[C@]12C=C(c3c4[nH]c5ccccc5c4cc[n+]3C)C3CCN(CCCC/C=C\CC1)C[C@@]31C[C@@H]3/C=C\CCCCN3[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186229
Phase Preclinical
Structure Type MOL
InChI Key WTNYZKZWQFYUCX-JZJAKHKISA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

577.8
MW (Da)
6.94
ALogP
3
HBA
1
HBD
35.4
PSA (Ų)
0.26
QED
2
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H49N4O+
MW 577.84
Aromatic Rings 3
Heavy Atoms 43
NP-Likeness 1.90

Data from ChEMBL 36 via Core Engine