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Compound Detail

CHEMBL4301330

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Cc1ccc(CO)cc1Nc1nccc(-c2cc(C#N)c3c(c2)[C@@](C)(CO)CN3)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4301330
Phase Preclinical
Structure Type MOL
InChI Key DJHBXXYGFAJRGL-HSZRJFAPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
3.24
ALogP
7
HBA
4
HBD
114.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23N5O2
MW 401.47
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.35

Data from ChEMBL 36 via Core Engine