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Compound Detail

CHEMBL1190893

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COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3cnccn3)nc2c(=O)n1Cc1ccnc(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1190893
Phase Preclinical
Structure Type MOL
InChI Key FENVFMZRDCOGKP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

583.6
MW (Da)
4.00
ALogP
12
HBA
0
HBD
136.8
PSA (Ų)
0.22
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 C31H29N5O7
MW 583.60
Aromatic Rings 5
Heavy Atoms 43
NP-Likeness -0.78

Data from ChEMBL 36 via Core Engine