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Compound Detail

CHEMBL1190894

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COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccnc(NCCO)c2c(=O)n1Cc1ccnc(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1190894
Phase Preclinical
Structure Type MOL
InChI Key OMIZJEMTIASVFY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

534.6
MW (Da)
3.03
ALogP
11
HBA
2
HBD
134.0
PSA (Ų)
0.29
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H30N4O7
MW 534.57
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -0.39

Data from ChEMBL 36 via Core Engine