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Compound Detail

CHEMBL1187205

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CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cccc3c1c2N(CCN1CCOCC1)C(=O)N3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187205
Phase Preclinical
Structure Type MOL
InChI Key LLTSHSPVDQJILH-MHZLTWQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

517.5
MW (Da)
1.76
ALogP
9
HBA
2
HBD
126.2
PSA (Ų)
0.39
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H27N5O6
MW 517.54
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness 0.02

Data from ChEMBL 36 via Core Engine