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Compound Detail

CHEMBL1187222

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COc1cc2c(cc1OC)C(C(C)C)N(C(=O)CC[C@H](N)C(=O)N1CCC[C@H]1C#N)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187222
Phase Preclinical
Structure Type MOL
InChI Key UEQWIOPWDGYTKI-VGNWIJSDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

442.6
MW (Da)
2.41
ALogP
6
HBA
1
HBD
108.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H34N4O4
MW 442.56
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness 0.10

Data from ChEMBL 36 via Core Engine