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Compound Detail

CHEMBL1789140

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CC1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC(=O)CC[C@]3(CN)CC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789140
Phase Preclinical
Structure Type MOL
InChI Key SVLFCAZCCBBUPC-ZOCIIQOWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
2.70
ALogP
4
HBA
1
HBD
84.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24N2O2
MW 312.41
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 1.60

Data from ChEMBL 36 via Core Engine