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Compound Detail

CHEMBL6028893

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COc1cccc(C2(C3CCC3)C(C#N)=C(N)Oc3[nH]nc(C)c32)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6028893
Phase Preclinical
Structure Type MOL
InChI Key MREXPBMLZMUENP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
2.90
ALogP
5
HBA
2
HBD
97.0
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20N4O2
MW 336.40
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.64

Data from ChEMBL 36 via Core Engine