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Compound Detail

CHEMBL1193578

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N=C(NC1C[C@H]1c1ccccc1)NC12CC3CC(CC(C3)C1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1193578
Phase Preclinical
Structure Type MOL
InChI Key XLROZSJFOXIJEV-NCUIIFIVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

309.5
MW (Da)
3.63
ALogP
1
HBA
3
HBD
47.9
PSA (Ų)
0.59
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 C20H27N3
MW 309.46
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.38

Data from ChEMBL 36 via Core Engine