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Compound Detail

CHEMBL1198581

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CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2CCNCC(C)C)OCO3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1198581
Phase Preclinical
Structure Type MOL
InChI Key ZMTVBBUEAOOPAF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

491.5
MW (Da)
2.60
ALogP
9
HBA
2
HBD
111.9
PSA (Ų)
0.31
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29N3O6
MW 491.54
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness 0.78

Data from ChEMBL 36 via Core Engine