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Compound Detail

CHEMBL4301087

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c1ccc2c(c1)C[C@@H]1[C@@H](NCC3CCNCC3)[C@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4301087
Phase Preclinical
Structure Type MOL
InChI Key XTRCWGVCIVYZJQ-ARFHVFGLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

242.4
MW (Da)
1.91
ALogP
2
HBA
2
HBD
24.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H22N2
MW 242.37
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.36

Data from ChEMBL 36 via Core Engine