NHWD-870   Click here for help

GtoPdb Ligand ID: 10743

Synonyms: NHWD870
Compound class: Synthetic organic
Comment: NHWD-870 is an orally bioavailable bromodomain and extra-terminal (BET) inhibitor, that exhibits selectivity for bromodomain containing 4 (BRD4) [2]. It was developed for anti-cancer potential. In vitro, it is more potent than clinical stage BET inhibitors such as birabresib (OTX-015) and molibresib (GSK-525762). NHWD-870 potently reduces tumour growth in a number of different mouse models of cancers, including lung and ovarian tumours, lymphoma, and melanoma.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 75.58
Molecular weight 491.24
XLogP 5.09
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES Cc1nnn(c1c1cnc2c(c1)n([C@H](c1ccccc1)C1CCOCC1)c1c2c2cnn(c2cc1)C)C
Isomeric SMILES Cc1nnn(c1c1cnc2c(c1)n([C@H](c1ccccc1)C1CCOCC1)c1c2c2cnn(c2cc1)C)C
InChI InChI=1S/C29H29N7O/c1-18-28(35(3)33-32-18)21-15-25-27(30-16-21)26-22-17-31-34(2)23(22)9-10-24(26)36(25)29(19-7-5-4-6-8-19)20-11-13-37-14-12-20/h4-10,15-17,20,29H,11-14H2,1-3H3/t29-/m1/s1
InChI Key BBKUPPVLTRGWDN-GDLZYMKVSA-N
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
NHWD870
Database Links Click here for help
GtoPdb PubChem SID 405067335
PubChem CID 137448670
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