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Compound Detail

CHEMBL1789338

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O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1c1ccc(N2CCNCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789338
Phase Preclinical
Structure Type MOL
InChI Key UHPGIQNRUBLIGG-FYBSXPHGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

535.6
MW (Da)
3.20
ALogP
6
HBA
2
HBD
90.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H29N5O4
MW 535.60
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -0.47

Data from ChEMBL 36 via Core Engine