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Compound Detail

CHEMBL1739917

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CCc1ccc(C(CC)(CC)NC(=O)c2c(C)nn3c2N[C@@H](c2ccccc2)CC3(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1739917
Phase Preclinical
Structure Type MOL
InChI Key UEEHORXWFOHMHK-XMMPIXPASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

458.6
MW (Da)
6.49
ALogP
4
HBA
2
HBD
59.0
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H38N4O
MW 458.65
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.62

Data from ChEMBL 36 via Core Engine