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Compound Detail

CHEMBL1179567

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CC1(C(N)C(=O)N2C(C#N)C[C@@H]3C[C@@H]32)CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179567
Phase Preclinical
Structure Type MOL
InChI Key ILKDJTUPKUDSIV-ZYGVAYEYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

247.3
MW (Da)
1.41
ALogP
3
HBA
1
HBD
70.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H21N3O
MW 247.34
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 0.57

Data from ChEMBL 36 via Core Engine