Compound Detail

CHEMBL1618499

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C[C@H]1[C@@H](O[N+]2(CCO[C@H]3O[C@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)CCN(CCNc3ccnc4cc(Cl)ccc34)CC2)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1618499
Phase	Preclinical
Structure Type	MOL
InChI Key	HHHWRJDPBPXUJX-NXECMTGWSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

884.5

MW (Da)

7.80

ALogP

HBA

HBD

120.5

PSA (Å²)

0.18

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C47H68ClN4O10+
MW	884.53
Aromatic Rings	2
Heavy Atoms	62
NP-Likeness	0.81

Data from ChEMBL 36 via Core Engine